data_1wfj_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 1wfj _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.0 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -171.79 125.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.34 -147.96 12.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.597 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 35.8 m -101.48 149.08 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 96' ' ' LEU . 2.0 tp -123.94 148.37 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' CD1' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.33 147.72 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.466 HG11 ' CD2' ' A' ' 73' ' ' LEU . 47.3 t -141.9 100.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.5 t -94.69 105.59 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 35' ' ' VAL . 24.2 tp -84.84 91.39 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 18' ' ' SER . 56.7 t -67.93 -87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.445 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 28.1 p -153.91 -174.33 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.39 124.17 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -109.41 151.3 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.09 179.37 22.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 3.0 mm? -70.32 -169.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -39.71 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -117.78 61.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.01 120.98 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -82.88 51.99 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE1' HD23 ' A' ' 28' ' ' LEU . 14.6 t80 -96.67 120.87 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.576 HD23 ' CE1' ' A' ' 27' ' ' PHE . 4.7 mt 63.62 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -127.68 124.74 38.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 55.87 58.55 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.438 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 8.9 ptm -165.86 -177.04 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.9 m-20 -130.76 67.96 81.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.2 Cg_endo -74.98 150.36 38.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 45.3 p90 -135.57 150.8 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 16' ' ' LEU . 88.2 t -92.88 148.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -135.05 109.1 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -80.32 165.72 22.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 37' ' ' LEU . 1.3 m -155.58 119.98 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -142.39 98.58 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 60.97 88.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ARG . 27.3 p 34.04 33.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.83 112.18 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.82 166.71 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 69.5 mt-30 -157.76 121.88 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 158.66 20.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.16 175.75 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.064 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -48.51 158.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.4 t -90.42 113.14 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.35 84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' VAL . 23.1 mt-10 -74.87 117.51 16.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 34.92 68.31 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.2 -30.8 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.021 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 109.33 -157.43 15.12 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.107 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 p -79.42 4.33 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 0.731 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 p -136.06 67.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 122.37 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 6.4 mt-10 -96.38 179.63 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 21.2 m-90 -157.13 -45.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 52.5 35.81 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -93.13 -178.33 4.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -153.36 127.39 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 98.8 m-85 -122.69 124.73 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.597 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 23.3 mm -99.53 132.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 67.8 m-85 -125.15 162.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -108.68 105.69 15.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 67' ' ' SER . 21.4 t -81.58 147.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.421 ' HB2' ' NH2' ' A' ' 40' ' ' ARG . 1.1 m -165.94 67.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.49 161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.84 -55.66 4.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 119.99 23.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.8 p -135.6 13.01 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -160.88 149.57 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD2' HG11 ' A' ' 14' ' ' VAL . 5.5 tp -106.99 142.58 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -107.53 129.12 55.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.19 113.23 16.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 19.6 mttp -114.52 139.04 49.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.479 HG21 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -110.97 145.41 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 88' ' ' ALA . 30.3 m-85 -145.83 -147.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' VAL . 3.8 t0 -136.23 128.0 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -40.09 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -72.19 -54.0 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -70.08 -162.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.475 ' N ' ' CG2' ' A' ' 82' ' ' VAL . . . -141.97 151.4 22.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.435 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 66.6 p -39.8 -37.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.44 77.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.67 -68.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.48 113.19 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.601 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . . . -95.6 114.32 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -43.51 -27.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.66 -176.37 47.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -155.32 171.22 20.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 122' ' ' ILE . . . -152.55 151.91 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -110.94 112.45 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.595 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.4 mt -108.37 101.23 41.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.62 28.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.633 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 10.6 mt -100.7 9.47 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -67.85 -38.22 13.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.95 -30.16 7.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -80.37 -29.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 6.1 m-85 -76.94 -19.36 57.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.0 t -96.82 -43.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.7 -41.93 17.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 97.56 -9.18 64.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -165.11 124.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 48.7 mm -121.66 134.77 24.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.06 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.46 148.01 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.45 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.437 ' HB3' ' CE2' ' A' ' 123' ' ' TRP . . . -77.97 103.04 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.441 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.9 m-85 -84.71 132.65 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.92 123.99 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 40.7 t -107.13 112.19 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.8 168.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.1 90.86 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.6 t0 83.48 -22.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.33 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.1 mt-10 -84.55 137.25 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 120' ' ' GLY . 35.2 t80 -78.22 108.34 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.506 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 10.2 mmpt? -77.31 -44.04 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.582 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 171.12 -123.96 1.08 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -149.95 146.72 27.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 5.3 tt -118.79 121.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 109' ' ' ALA . 39.5 m95 -83.86 122.36 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.401 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 12.8 t -151.46 148.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.96 149.9 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.595 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 4.7 mt -128.71 147.36 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 13' ' ' GLU . 59.4 m -151.79 113.99 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 8' ' ' PRO . 19.5 t80 -90.46 145.11 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -135.83 90.78 18.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.4 19.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -74.98 142.56 28.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 67' ' ' SER . 2.6 p-80 -167.42 118.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 170.57 -131.02 2.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.557 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 61.8 m -111.84 137.18 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 96' ' ' LEU . 1.2 tp -117.62 137.73 52.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -108.2 137.2 46.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.28 108.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 t -102.84 99.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.7 tp -79.05 84.51 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.38 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 14.7 p -146.26 -177.78 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' HD2' ' A' ' 56' ' ' PRO . . . -157.74 118.17 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CB ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -109.61 148.93 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.6 -147.14 19.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -121.87 -171.27 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -105.03 -17.59 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -120.19 48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.85 111.12 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.02 88.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.603 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 11.6 t80 -142.03 111.88 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 5.4 mt 75.83 71.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -138.8 120.35 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 46.25 67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.8 ptm -163.84 175.67 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 64.7 m-20 -129.78 69.29 81.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -74.94 156.35 43.24 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 19.1 p90 -132.05 148.94 52.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 36' ' ' GLN . 78.2 t -90.51 140.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 35' ' ' VAL . 19.0 tt0 -118.15 94.78 4.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.694 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 48.9 mt -68.9 142.11 54.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -142.55 128.95 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -135.82 93.88 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.46 -84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.4 p -125.47 2.2 7.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -98.49 121.77 40.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.79 135.65 55.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -150.5 125.37 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -104.39 166.68 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -110.82 165.78 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -47.95 159.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' GLU . 6.4 t -81.07 119.41 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -62.04 78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' VAL . 21.1 mt-10 -69.08 121.73 17.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.13 79.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.8 mmt -116.1 -32.0 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.03 -132.37 10.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -106.29 12.15 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 110.445 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' CB ' ' A' ' 20' ' ' LYS . 1.8 p -150.65 76.73 8.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -75.04 136.6 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 55.3 mp0 -112.14 132.56 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.455 ' C ' ' N ' ' A' ' 60' ' ' GLU . 25.1 m-90 -111.89 -37.05 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 108.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' TRP . 0.8 OUTLIER 39.31 30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' TRP . 20.6 mm-40 -84.72 -177.12 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -145.65 120.98 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 40.9 m-85 -124.67 127.17 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.9 mm -98.4 141.21 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 28.5 m-85 -134.97 128.28 32.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -70.13 124.33 23.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -113.52 133.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.509 ' HA ' ' CB ' ' A' ' 9' ' ' HIS . 2.3 t -144.33 -67.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' GLU . 5.0 pt-20 -144.22 118.45 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.15 -30.5 7.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -69.27 92.24 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.7 p -128.58 2.77 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 1.1 pt-20 -174.69 143.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 37' ' ' LEU . 14.8 tp -103.33 146.25 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -112.34 113.79 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -109.88 117.45 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 17.0 mttt -116.07 140.64 49.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -106.79 125.03 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.721 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 96.3 m-85 -132.06 163.21 28.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.489 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 5.2 t0 -83.67 156.22 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -62.28 -12.0 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -120.46 68.82 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.494 ' CG2' ' HB3' ' A' ' 86' ' ' ASP . 7.6 p -173.98 168.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -118.28 134.79 11.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' GLY . 66.9 p -35.25 -36.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLY . 31.0 mt-10 -97.52 57.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 15.6 t0 -142.2 -65.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 175.56 119.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.721 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -96.92 131.27 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.5 OUTLIER -44.18 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.89 179.05 47.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.0 171.62 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 0.761 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -152.85 139.21 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 15.6 m -95.22 112.37 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.588 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.7 mt -106.74 101.64 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.99 145.44 31.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 100' ' ' PHE . 8.2 mt -101.17 0.52 37.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.8 tt0 -58.34 -42.13 93.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.23 7.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -86.92 -0.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 8.4 m-30 -99.29 -31.91 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.6 m -95.31 -31.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.11 -33.28 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.47 71.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -172.4 134.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.486 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 5.2 mm -131.08 140.41 38.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 104.02 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 109' ' ' ALA . 1.1 m -114.61 148.0 38.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.486 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -79.67 101.34 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 89.1 m-85 -79.2 136.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.98 128.43 21.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.6 113.36 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.32 172.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 30.5 tptt -150.13 90.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 13.2 t0 89.16 -27.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.5 OUTLIER 158.63 -21.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 2.1 mm-40 -86.42 151.12 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -86.05 113.66 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -81.92 -54.64 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.41 -136.44 2.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -138.84 152.66 48.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 110' ' ' TYR . 6.8 tt -125.73 121.53 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.486 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 45.9 m95 -87.44 121.67 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.41 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 22.2 t -152.9 145.95 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -111.92 149.87 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.588 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 20.0 mt -125.82 142.37 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.95 93.57 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -76.58 158.84 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.6 mttm -149.11 89.75 4.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.88 28.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 179.07 140.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.78 -116.29 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.49 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 36.8 m -140.04 150.85 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 126' ' ' LEU . 14.2 tp -117.52 149.35 40.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tt0 -124.3 96.47 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG12 ' CD2' ' A' ' 37' ' ' LEU . 64.1 t -86.37 120.94 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.44 93.85 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.81 87.23 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.17 -87.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -146.47 -167.19 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -160.09 116.95 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 149.88 24.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.56 -141.74 8.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.9 mt -119.18 165.12 14.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.96 -19.49 37.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -126.44 46.02 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -163.57 129.94 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.0 90.63 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CE1' ' HG ' ' A' ' 28' ' ' LEU . 7.6 t80 -131.55 126.25 34.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' HG ' ' CE1' ' A' ' 27' ' ' PHE . 15.1 mt 69.12 32.07 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' MET . 6.7 t30 -60.41 -148.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.88 73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -146.72 179.66 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.504 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 11.8 m-20 -119.7 77.79 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.48 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 166.22 29.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.4 p90 -162.35 130.97 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' CG2' HG13 ' A' ' 77' ' ' ILE . 76.1 t -92.9 154.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.466 ' CB ' ' HG2' ' A' ' 45' ' ' LYS . 16.2 tt0 -124.08 95.41 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -65.14 121.27 14.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.459 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 88.1 m -124.19 138.67 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.457 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.26 98.11 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 108.317 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 -88.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.0 p -120.03 1.62 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -97.72 114.92 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.61 119.13 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -134.77 123.68 23.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 23.7 mtmt -104.42 166.52 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -112.1 159.23 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -48.62 149.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 13.7 t -74.71 116.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.61 86.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' GLY . 28.7 mt-10 -77.43 131.17 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.69 73.96 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.51 -32.38 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.43 -150.98 18.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 55' ' ' THR . 1.4 p -89.85 26.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 54' ' ' THR . 1.2 p -161.66 70.17 2.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.457 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.04 141.49 26.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -119.76 139.93 51.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -119.52 -43.11 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 44.81 34.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.7 172.03 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -134.74 125.41 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.578 ' CD2' HD22 ' A' ' 37' ' ' LEU . 52.0 m-85 -126.12 126.48 44.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.4 mm -97.83 143.64 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 26.5 m-85 -137.22 139.34 40.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -74.54 110.61 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -96.36 148.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 -72.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -140.83 140.07 34.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.76 -46.63 2.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -63.75 84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 p -111.51 -16.14 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.16 163.13 40.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 38' ' ' THR . 16.0 tp -117.32 145.62 43.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -109.52 122.59 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.91 102.53 8.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 38.5 mttp -103.63 138.52 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.515 ' O ' ' CA ' ' A' ' 88' ' ' ALA . 4.9 mp -101.81 119.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.711 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 90.6 m-85 -125.78 168.5 13.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 82' ' ' VAL . 59.9 t0 -93.75 135.46 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 13.0 ptmt -49.9 -20.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' N ' ' C ' ' A' ' 79' ' ' ASP . 16.5 t0 -81.07 -34.09 32.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 79' ' ' ASP . 1.3 m -94.69 -168.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -138.42 145.28 16.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.564 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 59.6 p -35.47 -34.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' GLY . 18.2 mt-10 -99.88 70.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.33 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.78 121.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.711 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -102.58 124.02 47.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -43.35 -27.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -175.28 -179.16 45.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.85 172.22 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -156.21 138.53 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 16.5 m -99.25 113.98 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' LEU . 3.6 mt -106.69 102.5 42.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.0 137.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.568 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 17.6 mt -97.62 10.51 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.707 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tt0 -67.89 -38.57 14.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.05 -25.28 11.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -84.89 -7.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 15.4 m-30 -96.89 -31.12 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.8 m -93.31 -31.54 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.05 -32.3 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -11.36 58.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.6 p -166.32 129.65 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 47.1 mm -121.34 134.79 24.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.26 25.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.434 ' CA ' ' HB3' ' A' ' 125' ' ' ALA . 18.2 Cg_endo -74.99 102.12 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -117.21 152.45 34.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.513 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -80.19 107.94 13.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 73.3 m-85 -85.24 143.44 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.12 131.88 52.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 122' ' ' ILE . 44.7 t -112.85 114.72 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.85 170.56 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 31.3 tptt -142.29 89.38 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 1.2 t70 83.63 -21.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 160.23 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.61 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 12.0 pt-20 -81.14 165.73 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -102.01 117.95 35.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.448 ' CE ' ' HG3' ' A' ' 117' ' ' GLU . 6.6 mmpt? -88.41 -55.81 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -167.88 -137.46 2.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -140.93 143.83 34.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.453 ' N ' HG22 ' A' ' 112' ' ' VAL . 15.4 tt -118.49 123.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.513 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 29.7 m95 -83.8 119.16 24.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.521 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 10.5 t -136.73 156.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.474 ' C ' ' CD1' ' A' ' 126' ' ' LEU . . . -143.12 123.72 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -115.76 137.11 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 m -135.79 94.58 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.56 156.8 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -143.55 90.5 7.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 178.92 119.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.3 -142.3 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 53.1 m -111.21 144.36 40.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -109.38 146.91 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -128.84 112.8 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 12' ' ' LEU . 41.7 t -105.16 112.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.3 t -97.17 89.51 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD13 ' CG ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -65.76 104.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' TRP . 40.0 t -85.41 -86.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 123' ' ' TRP . 48.6 p -156.37 -173.54 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.54 128.28 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 153.53 27.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.76 -179.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 118' ' ' TYR . 2.6 mm? -77.71 164.58 25.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.61 -50.09 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -114.87 64.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.63 116.03 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.56 55.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CE1' HD23 ' A' ' 28' ' ' LEU . 16.2 t80 -114.12 121.44 43.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD23 ' CE1' ' A' ' 27' ' ' PHE . 27.8 mt 72.58 24.83 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' MET . 2.3 t-20 -60.92 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.14 73.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.7 ptm -148.49 -173.2 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 12.2 m-20 -133.51 65.87 72.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.1 Cg_endo -74.94 160.45 40.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 35.4 p90 -141.46 147.8 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.547 HG21 ' CH2' ' A' ' 58' ' ' TRP . 97.5 t -92.39 148.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -137.97 95.7 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.697 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.69 126.3 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.7 m -119.97 139.21 52.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 40.4 t -136.8 89.52 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.21 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.0 p -114.41 -26.4 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.442 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 11.6 pt20 -91.51 124.74 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -134.02 173.58 11.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 67.9 mt-30 -157.16 140.37 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -104.91 158.41 16.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.95 172.32 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -53.21 165.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.0 t -93.04 120.12 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.67 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLY . 24.1 mt-10 -75.56 120.33 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.3 73.76 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmt -115.45 -31.99 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 108.91 -162.06 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 p -80.03 3.48 20.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.407 ' N ' ' HD3' ' A' ' 56' ' ' PRO . 10.7 p -134.95 64.02 60.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 55' ' ' THR . 18.3 Cg_endo -74.97 126.52 10.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 18' ' ' SER . 1.5 mt-10 -109.22 123.37 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.633 ' CG ' HD13 ' A' ' 16' ' ' LEU . 27.5 m-90 -93.44 -44.29 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 107.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 54.17 39.7 30.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . 7.9 mm-40 -94.84 171.73 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 119.65 16.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.697 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 55.8 m-85 -118.52 146.99 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.504 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.2 mm -118.36 142.86 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 40.5 m-85 -143.28 135.24 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -80.91 125.32 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 67' ' ' SER . 45.7 t -111.86 143.74 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.6 t 156.99 44.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.93 43.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' THR . . . 88.51 -28.83 6.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' GLY . 51.5 m -37.85 110.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.404 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.2 p -140.42 32.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.83 153.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 94' ' ' ILE . 4.3 tp -118.76 141.84 48.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.88 119.32 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.45 111.04 20.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 10.7 mttp -111.66 136.9 50.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.46 ' O ' ' CA ' ' A' ' 88' ' ' ALA . 5.0 mp -109.7 141.87 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.666 ' CE2' ' CB ' ' A' ' 88' ' ' ALA . 31.4 m-85 -141.9 -163.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 82' ' ' VAL . 18.4 t0 -116.62 135.67 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -44.63 -28.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 79' ' ' ASP . 67.8 m-20 -100.71 43.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 53.1 t -153.49 150.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.428 ' N ' HG11 ' A' ' 82' ' ' VAL . . . -93.53 135.48 12.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.5 p -38.13 -32.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 83' ' ' GLY . 33.9 mt-10 -106.98 55.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.487 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.4 t70 -135.45 -68.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.83 114.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.666 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . . . -92.86 117.55 30.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.455 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -41.18 -29.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.32 176.07 45.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -146.97 170.61 16.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -155.15 140.54 17.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 m -96.76 115.65 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.3 mt -108.32 100.21 36.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.99 135.21 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.603 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.1 mt -96.79 6.15 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.682 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.0 tt0 -63.15 -39.76 54.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.02 -25.94 11.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 100' ' ' PHE . 1.2 p -88.56 -3.56 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 12.5 m-30 -97.94 -31.76 12.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 m -93.6 -34.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.67 -44.4 14.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.74 -13.04 61.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 p -167.44 129.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 44.3 mm -120.4 138.64 27.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 109' ' ' ALA . 1.5 m -121.59 146.09 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.547 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -78.81 105.44 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 69.0 m-85 -81.66 131.78 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -44.63 123.63 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 119' ' ' LYS . 25.2 t -110.88 111.39 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.22 169.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 46.5 tptt -143.55 88.99 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.1 t70 87.21 -22.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.565 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.76 -21.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 3.9 mt-10 -87.34 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.561 ' CD2' HD21 ' A' ' 22' ' ' LEU . 66.6 t80 -76.95 113.87 15.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' VAL . 4.0 mmpt? -86.84 -29.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 159.73 -136.38 4.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 109' ' ' ALA . 7.6 pt-20 -143.29 149.15 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 9.5 tt -116.82 121.31 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.547 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 36.2 m95 -83.46 123.72 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 14' ' ' VAL . 46.9 t -154.8 133.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.51 138.53 39.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.508 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 11.9 mt -113.99 136.36 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.98 96.47 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.406 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 38.4 t80 -77.16 155.12 32.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -138.72 91.78 11.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.59 32.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.02 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.16 124.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.604 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.44 -140.57 6.27 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 48.7 m -121.6 144.69 48.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.523 ' CD1' HG21 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -112.1 144.84 40.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 3.1 tt0 -125.14 102.74 7.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.523 HG21 ' CD1' ' A' ' 12' ' ' LEU . 7.6 t -91.74 125.62 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 125' ' ' ALA . 58.7 t -115.39 86.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 14.1 tp -70.47 89.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 55.6 t -63.15 -88.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p -149.72 -170.78 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.17 135.73 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.48 150.28 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 -175.41 28.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.0 mm? -79.46 -151.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -100.67 -40.32 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -113.26 60.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.85 131.37 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 29' ' ' ASN . 2.1 t0 -91.85 35.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 28' ' ' LEU . 20.2 t80 -85.73 126.55 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 66.45 25.63 10.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 26' ' ' ASP . 1.6 t-20 -60.82 -147.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.52 76.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.0 ptm -148.52 -172.93 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.494 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 1.3 m-20 -132.56 66.16 76.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -74.99 163.86 34.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.555 1.818 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 32.4 p90 -147.6 141.47 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 46.0 t -91.83 145.23 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.416 ' N ' HG11 ' A' ' 35' ' ' VAL . 22.9 tt0 -129.06 96.08 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -68.49 156.06 38.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 m -149.23 134.76 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 29.4 t -134.02 107.64 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.4 mmm180 67.95 -84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 p -138.86 17.47 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -114.04 114.76 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -108.72 148.74 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -152.02 122.43 7.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 3.3 mtmt -87.19 159.22 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -111.16 167.44 10.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -48.26 155.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 12.1 t -88.3 124.57 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -68.87 82.11 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -76.03 114.35 14.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.56 73.12 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmt -115.55 -23.44 8.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.72 -151.14 19.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -88.3 27.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -155.37 70.08 5.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.96 123.52 7.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 17' ' ' VAL . 13.6 tt0 -112.67 137.62 50.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.467 ' CH2' HG21 ' A' ' 35' ' ' VAL . 22.8 m-90 -112.37 -49.62 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 108.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 54.47 40.58 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -96.0 -175.13 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.0 m -145.47 117.19 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.425 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CD2' HD21 ' A' ' 37' ' ' LEU . 62.4 m-85 -118.24 124.57 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.2 mm -94.78 150.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 18.3 m-85 -147.83 145.54 28.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.44 115.58 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 t -97.8 148.85 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -177.15 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -156.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.51 25.67 8.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.31 101.44 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 110.375 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.7 p -121.23 40.27 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 6.5 pt-20 -177.89 136.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' A' ' 94' ' ' ILE . 5.0 tp -96.62 141.43 29.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -104.25 125.63 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -123.06 99.2 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 4.1 mttp -100.3 123.23 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.483 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -89.36 144.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.62 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 98.6 m-85 -142.76 -170.61 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.97 133.05 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -43.7 -35.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.498 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 36.7 m-20 -91.12 41.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 84.0 t -157.33 153.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -98.88 134.26 11.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.458 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 25.2 p -36.46 -36.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.22 54.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 65.1 t0 -137.68 -66.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -167.86 119.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.62 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -94.76 116.12 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.483 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -40.86 -30.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.1 -179.83 48.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.45 171.32 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' CB ' HG23 ' A' ' 122' ' ' ILE . . . -156.55 144.28 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 18.0 m -104.43 112.3 25.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.2 mt -106.93 102.06 40.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.97 136.02 19.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.0 mt -96.04 4.07 52.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.5 tt0 -60.46 -40.76 79.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -83.43 -8.72 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 13.5 m-30 -94.44 -33.89 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.4 m -90.25 -32.62 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.83 -37.68 16.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -12.19 68.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 18.8 p -164.8 129.27 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 99' ' ' VAL . 43.5 mm -122.5 137.73 28.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.98 102.76 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -116.27 155.4 28.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.454 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 108' ' ' THR . . . -85.56 114.95 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 72.8 m-85 -93.67 137.01 33.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.93 131.4 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 122' ' ' ILE . 50.3 t -118.44 113.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.68 169.88 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 43.3 tptt -143.16 88.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 87.38 -22.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.22 -21.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.23 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 64.0 t80 -77.56 113.07 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -81.71 -37.36 27.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 169.23 -141.45 6.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -137.15 142.1 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.428 HG23 ' CB ' ' A' ' 92' ' ' ALA . 5.8 tt -113.5 120.71 64.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -80.65 113.34 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 107.992 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.606 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 47.6 t -129.06 160.62 39.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.454 ' C ' HD13 ' A' ' 126' ' ' LEU . . . -148.88 116.08 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -105.35 141.7 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER -137.8 86.6 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.457 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 30.5 t80 -60.7 163.1 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -147.5 90.44 5.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.01 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.19 144.9 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.67 -140.44 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 94.2 m -107.42 150.75 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' A' ' 96' ' ' LEU . 1.1 tp -125.68 143.69 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.3 tt0 -110.77 146.21 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 73' ' ' LEU . 52.9 t -136.19 106.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 t -102.55 103.6 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 35' ' ' VAL . 13.5 tp -85.55 91.83 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.7 t -68.65 -89.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.11 -171.98 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.25 140.13 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' CG ' HG21 ' A' ' 55' ' ' THR . 3.3 mttt -123.63 147.09 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.59 -177.34 29.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 22' ' ' LEU . 2.8 mm? -74.55 -168.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.18 -40.57 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.53 61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.88 127.14 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.91 38.05 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CE1' HD23 ' A' ' 28' ' ' LEU . 13.4 t80 -83.39 114.92 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD23 ' CE1' ' A' ' 27' ' ' PHE . 17.0 mt 76.06 31.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -60.01 -146.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -63.37 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.6 ptm -153.49 -179.14 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.509 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 m-20 -126.53 73.52 74.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.4 8.64 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CD2' ' HD2' ' A' ' 45' ' ' LYS . 41.6 p90 -161.61 144.28 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.561 HG21 ' CH2' ' A' ' 58' ' ' TRP . 34.0 t -91.72 140.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 45' ' ' LYS . 3.3 tt0 -125.25 100.03 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -64.4 143.16 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.65 120.78 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -130.62 91.34 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.287 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? 63.12 -84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.1 p -119.79 -5.11 10.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -92.72 115.21 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.15 120.59 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 69.3 mt-30 -132.33 122.39 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HD2' ' CD2' ' A' ' 34' ' ' TYR . 1.5 ttpm? -122.37 156.13 34.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.429 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -110.1 165.23 11.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' SER . 2.9 m120 -49.3 177.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 6.5 m -91.01 148.86 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -80.72 87.68 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.1 mt-10 -70.42 132.49 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.23 67.3 0.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.03 -32.46 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.98 -153.28 20.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 p -82.52 10.31 7.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.445 HG21 ' CG ' ' A' ' 20' ' ' LYS . 3.2 p -138.7 73.54 40.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.177 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.477 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 153.12 41.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.79 150.74 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CH2' HG21 ' A' ' 35' ' ' VAL . 16.5 m-90 -130.69 -51.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LEU . 20.5 m-20 61.92 34.72 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -177.61 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m -144.75 124.41 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 42.5 m-85 -126.48 121.8 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 8.1 mm -89.93 141.57 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 44.3 m-85 -132.21 124.91 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -68.53 120.34 14.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.35 148.02 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -176.92 74.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 56.67 161.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.94 -55.13 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 11.7 m -66.11 116.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.1 p -141.85 13.3 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.74 152.63 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD2' HG11 ' A' ' 14' ' ' VAL . 12.5 tp -112.97 145.52 40.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -109.66 127.57 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.87 123.26 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.597 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 10.9 mttp -121.31 140.49 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.465 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 4.8 mp -114.97 144.34 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 76' ' ' LYS . 14.6 m-85 -144.18 -159.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' VAL . 34.2 t0 -120.22 140.67 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' CB ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -53.57 -28.24 30.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -73.06 -22.14 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -110.47 -176.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -129.69 154.91 20.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 21.8 p -37.16 -32.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' GLY . 3.7 pt-20 -107.65 78.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.79 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.88 112.44 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.589 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . . . -89.49 116.08 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -48.52 -29.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.56 176.29 44.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.01 168.26 23.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -146.66 151.0 36.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 m -107.15 113.12 26.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.591 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.5 mt -108.15 101.48 41.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.4 24.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.611 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 9.2 mt -98.19 7.38 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.664 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.8 tt0 -63.99 -41.59 63.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.1 Cg_endo -75.04 -28.45 9.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.428 ' O ' ' CB ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -84.6 -3.57 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 1.9 m-85 -100.08 -23.84 14.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.36 -32.09 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.74 -36.28 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.59 76.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -174.26 123.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.436 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 35.2 mm -111.52 139.87 22.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.06 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 101.58 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -116.29 150.1 38.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -83.2 105.13 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.54 ' CD2' HG12 ' A' ' 94' ' ' ILE . 79.1 m-85 -82.0 137.34 35.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -51.39 127.96 21.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.6 t -112.91 110.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -108.3 172.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 12.4 tptt -146.84 90.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.1 t0 87.18 -25.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER 158.53 -22.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 3.3 mm-40 -86.88 153.14 21.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.418 ' CD2' HD21 ' A' ' 22' ' ' LEU . 46.8 t80 -86.49 127.24 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.77 -31.88 10.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 161.13 -142.87 8.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 109' ' ' ALA . 4.5 pt-20 -135.26 149.41 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.436 ' CG2' ' HB2' ' A' ' 110' ' ' TYR . 3.3 tt -119.15 121.8 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 44.7 m95 -83.8 121.44 27.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.408 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 23.7 t -153.11 141.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -114.72 142.87 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.591 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 2.7 mt -119.77 151.61 38.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -150.08 112.34 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 25.8 t80 -91.93 144.15 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -133.86 90.33 27.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 133.02 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -75.0 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -168.16 135.79 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.08 -127.62 1.88 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.609 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 63.9 m -125.82 152.27 45.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -119.49 130.8 55.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.54 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -110.39 123.19 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.572 ' CG2' HD11 ' A' ' 12' ' ' LEU . 67.3 t -118.61 108.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' OE2' ' A' ' 13' ' ' GLU . 43.7 t -98.69 95.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 17.3 tp -71.48 85.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.62 -84.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.417 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 80.0 p -153.33 -171.19 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.68 147.1 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.41 144.25 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.08 174.06 19.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 118' ' ' TYR . 3.0 mm? -68.31 -171.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.71 -9.32 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.43 53.32 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.42 -156.88 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -145.72 79.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 28' ' ' LEU . 33.4 t80 -148.06 124.24 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.5 mp 66.62 36.03 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.31 121.53 45.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 41.75 77.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 9.9 ptm -171.74 -179.83 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 32.7 m-20 -129.79 68.22 80.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.08 160.37 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 50.5 p90 -142.7 146.53 34.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.457 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 85.0 t -91.24 148.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 8.6 tt0 -134.64 97.55 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.62 139.73 57.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' HD22 ' A' ' 73' ' ' LEU . 3.5 m -133.98 141.19 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.7 OUTLIER -141.67 95.39 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.3 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.38 8.62 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.575 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 3.4 pt20 -109.73 114.11 27.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -110.05 155.55 21.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -150.42 120.8 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 4.6 mtmp? -90.71 155.74 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.57 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -59.08 157.36 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 8.2 t -86.1 126.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.59 89.38 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' GLY . 45.0 mt-10 -82.38 130.98 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.12 70.61 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.46 -32.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.81 -146.61 18.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -88.42 21.05 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 p -148.8 70.26 10.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 144.0 29.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mp0 -119.29 172.36 7.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 24.8 m-90 -158.0 -46.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 26.04 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -176.35 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -150.81 119.05 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 93.1 m-85 -114.72 147.59 39.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.609 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.9 mm -123.47 140.31 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 60.6 m-85 -139.55 144.9 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -79.01 131.48 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.81 140.18 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -141.69 -70.56 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.59 145.6 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.7 -41.86 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 44.8 m -69.2 94.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -128.25 33.05 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -176.13 150.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 74' ' ' LYS . 2.3 tm? -107.51 151.74 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.524 ' N ' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.52 127.03 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.76 103.58 6.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.2 mttp -104.02 131.45 51.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.501 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -97.11 138.18 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.72 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 98.4 m-85 -139.36 -169.15 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 82' ' ' VAL . 14.2 t70 -121.43 130.06 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -42.38 -33.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.498 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.2 t0 -94.36 44.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.505 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 79.2 t -157.54 154.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -97.44 136.14 12.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -38.45 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 83' ' ' GLY . 4.7 pt-20 -108.36 59.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 30.1 t0 -138.63 -70.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -168.05 111.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.72 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -86.94 116.52 25.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.4 OUTLIER -39.81 -30.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 178.79 -177.84 48.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.71 174.33 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.504 ' CB ' HG23 ' A' ' 122' ' ' ILE . . . -158.54 140.58 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 m -107.11 111.14 23.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.6 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 2.7 mp -106.62 107.07 59.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.31 24.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 9.7 mt -96.06 3.84 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.668 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tt0 -60.75 -40.85 78.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -27.29 10.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' A' ' 105' ' ' ILE . 1.1 p -89.51 -4.27 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 9.4 m-30 -95.22 -34.1 12.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -88.55 -34.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -84.75 -46.11 11.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.78 -4.83 61.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.163 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.5 p -170.07 128.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.49 HG12 ' CG2' ' A' ' 99' ' ' VAL . 39.6 mm -126.76 140.84 38.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.93 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -111.62 148.41 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.515 ' HB3' ' CD1' ' A' ' 123' ' ' TRP . . . -83.85 106.06 15.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.589 ' CD2' HG12 ' A' ' 94' ' ' ILE . 95.2 m-85 -86.39 134.86 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.65 121.56 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 122' ' ' ILE . 56.2 t -105.31 113.3 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.1 172.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -148.43 92.62 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 10.9 t0 85.82 -26.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.16 -21.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 2.8 mm-40 -85.97 152.1 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 22' ' ' LEU . 58.5 t80 -88.03 119.98 28.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 4.0 mmpt? -93.42 -23.89 18.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 149.32 -144.17 11.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -133.12 146.4 51.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.504 HG23 ' CB ' ' A' ' 92' ' ' ALA . 4.5 tt -118.86 122.79 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 39.0 m95 -84.55 126.08 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.411 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 30.2 t -153.68 139.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.68 145.23 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.6 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 9.8 mt -119.94 140.85 50.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -148.96 88.66 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 11' ' ' THR . 41.1 t80 -73.34 144.38 46.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -127.59 90.69 47.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 146.71 33.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 -179.04 4.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -166.41 130.43 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.9 -136.86 4.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.415 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 54.2 m -130.18 143.48 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.499 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -106.39 144.71 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 2.4 tt0 -127.15 102.17 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.499 HG22 ' CD1' ' A' ' 12' ' ' LEU . 23.2 t -89.17 125.16 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.15 91.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 59' ' ' ASN . 7.9 tp -69.82 91.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.43 -85.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' TRP . 83.8 p -157.72 -167.64 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -156.11 142.38 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.39 153.37 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.11 -174.49 30.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' CD2' ' HA2' ' A' ' 120' ' ' GLY . 2.8 mm? -73.4 164.91 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -51.66 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.46 67.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -135.68 119.0 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' ASP . 5.3 t0 -78.45 74.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.525 ' CE2' HD13 ' A' ' 28' ' ' LEU . 13.9 t80 -125.61 118.91 26.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 27' ' ' PHE . 13.1 mt 75.36 33.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.8 t-20 -63.51 -147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 72.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.2 ptm -144.76 -173.06 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.487 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 19.3 m-20 -126.1 71.39 69.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' C ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.0 150.96 38.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 43.1 p90 -149.14 134.87 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 77' ' ' ILE . 87.1 t -92.01 148.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 15.2 tt0 -120.16 97.19 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.591 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -66.04 128.02 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 m -129.58 134.34 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.37 110.66 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 108.309 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.504 ' CD ' ' OG1' ' A' ' 70' ' ' THR . 0.0 OUTLIER 60.26 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -136.81 10.29 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -101.31 114.68 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.03 130.41 55.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -148.3 124.01 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 34' ' ' TYR . 18.6 mtpt -97.52 166.36 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -110.85 169.7 8.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -48.59 158.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.0 t -88.34 105.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.48 90.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLY . 14.9 mt-10 -77.47 116.24 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.62 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.3 mmt -110.44 -31.22 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 54' ' ' THR . . . 102.72 70.83 0.86 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER 43.9 26.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 54' ' ' THR . 31.4 p -157.07 74.91 4.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.466 ' CG ' HD12 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 112.01 3.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' CD ' ' ND2' ' A' ' 59' ' ' ASN . 25.0 tt0 -102.12 132.61 47.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.462 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 17.8 m-90 -113.93 -58.97 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.034 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' LEU . 21.1 m-20 63.41 36.42 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -171.15 2.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 4.7 m -148.75 119.91 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 44.3 m-85 -120.17 133.11 55.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.3 mm -103.42 152.99 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 43.7 m-85 -152.48 129.72 11.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -73.48 130.58 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.44 147.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t -159.04 -52.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -167.9 140.96 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.86 -52.82 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m -69.76 104.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.1 p -130.22 5.09 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -164.41 143.56 7.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ILE . 6.8 tp -99.93 142.31 31.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 123.54 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.85 102.96 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.4 mttp -105.42 132.19 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.479 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 4.0 mp -102.27 142.73 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.693 ' CE2' ' CB ' ' A' ' 88' ' ' ALA . 78.5 m-85 -143.28 -158.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' VAL . 14.2 t0 -124.9 126.02 44.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 -29.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 22.0 t70 -70.66 -54.75 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ASP . 1.4 m -68.93 -163.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -140.4 155.02 24.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 45' ' ' LYS . 6.0 p -40.26 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' GLY . 59.7 mt-10 -116.07 82.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.28 -69.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.83 114.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.693 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . . . -93.64 117.85 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.479 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.91 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.47 178.42 46.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.454 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -149.07 176.93 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 122' ' ' ILE . . . -161.34 141.97 11.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 23.7 m -100.1 114.72 28.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.0 mt -108.46 100.15 36.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.03 136.75 20.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.619 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 21.2 mt -96.51 6.04 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.686 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.7 tt0 -62.69 -39.83 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -28.47 9.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -83.56 -10.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.619 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -92.19 -34.83 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 m -88.87 -35.37 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.27 -29.38 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.99 -8.52 50.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.7 p -168.48 130.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.959 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.3 mm -125.03 137.11 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.2 Cg_endo -74.98 111.13 3.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -124.78 158.4 33.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' N ' HG21 ' A' ' 108' ' ' THR . . . -89.73 112.37 23.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 90.9 m-85 -89.54 135.81 33.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.95 124.28 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 49.5 t -109.61 112.61 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.89 172.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.685 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 45.5 tptt -146.3 90.23 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.685 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 76.5 m-20 81.96 -21.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.539 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.25 -21.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.2 mt-10 -86.49 137.54 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.487 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 64.7 t80 -77.89 101.74 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -68.49 -42.15 79.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.487 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 170.09 -130.01 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -145.0 143.27 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.794 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 5.4 tt -114.4 118.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' SER . 33.9 m95 -78.38 120.67 23.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.604 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 4.6 t -141.79 165.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.508 ' N ' ' CG1' ' A' ' 124' ' ' VAL . . . -152.63 122.71 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.529 HD13 ' CG1' ' A' ' 124' ' ' VAL . 0.1 OUTLIER -109.1 140.65 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.95 88.49 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 26.7 t80 -63.94 159.9 18.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -143.21 88.67 8.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.21 26.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.8 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 113.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.96 -136.92 3.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.501 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 50.0 m -125.48 146.9 49.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.495 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -109.0 148.21 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 2.1 tt0 -131.23 110.31 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 12' ' ' LEU . 24.9 t -105.38 109.4 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -96.51 92.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.65 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.62 102.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 18' ' ' SER . 7.7 t -81.04 -85.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.51 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 9.9 p -151.55 -170.19 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -157.9 136.44 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -112.3 156.71 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' LEU . . . -124.43 54.02 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 21' ' ' GLY . 51.8 mt 45.04 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.65 8.5 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.2 41.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.77 128.34 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 8.6 p-10 -82.39 50.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CD1' HD13 ' A' ' 28' ' ' LEU . 31.5 t80 -104.68 128.52 52.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER 67.01 20.09 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' MET . 5.3 t-20 -60.75 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.1 74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.1 ptm -149.33 -172.69 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.55 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.6 m-20 -132.41 62.99 66.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.0 164.0 34.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.607 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 50.7 p90 -143.27 146.02 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.19 147.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 14.4 tt0 -140.29 107.28 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.724 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -76.02 165.45 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -149.02 127.14 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 1.8 t -142.45 89.2 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.1 OUTLIER 60.16 96.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' ARG . 76.9 p 32.36 38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -147.04 112.36 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 3.1 p30 -125.61 165.34 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 69.1 mt-30 -152.52 120.79 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 20.2 mtmt -86.04 154.77 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.632 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.33 171.11 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -48.37 152.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.3 t -78.7 133.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.21 82.66 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.7 mt-10 -73.79 119.41 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.87 64.65 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.24 -32.16 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 105.79 -171.67 18.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -65.12 -9.88 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -126.81 72.54 75.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.08 13.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 60.1 mp0 -108.19 125.75 52.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.632 ' CD1' ' OG ' ' A' ' 46' ' ' SER . 19.6 m-90 -104.3 -46.76 4.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 108.004 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER 54.12 34.98 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -84.55 -177.48 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -150.8 122.63 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.724 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 81.4 m-85 -121.16 147.1 46.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.501 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 4.5 mm -118.55 143.14 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 39' ' ' CYS . 73.4 m-85 -142.3 154.22 44.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -93.65 129.18 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 26.8 t -114.19 149.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' HG12 ' A' ' 66' ' ' VAL . 1.5 t -156.64 -76.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -145.13 145.58 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.22 -58.15 4.74 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 m -70.41 105.27 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.434 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 p -131.55 12.92 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.25 153.45 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 94' ' ' ILE . 3.8 tp -112.86 139.88 48.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 127.98 53.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.58 114.43 21.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 12.9 mttp -117.73 141.23 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.556 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 4.4 mp -116.44 149.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.607 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 5.6 m-85 -147.97 -154.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' VAL . 28.4 t70 -121.26 136.94 54.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.47 ' HE3' ' CB ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -45.63 -29.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 3.8 t0 -99.5 40.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 79' ' ' ASP . 52.5 t -152.33 148.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -92.73 139.73 14.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.492 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 9.3 p -35.73 -37.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.34 63.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.452 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 2.0 t0 -140.52 -52.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -177.72 109.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.588 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . . . -87.16 135.39 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' CG2' HG21 ' A' ' 77' ' ' ILE . 2.9 m -71.29 -35.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.409 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . -169.61 164.87 38.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.471 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -145.39 167.24 23.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.449 ' N ' ' OE1' ' A' ' 91' ' ' GLU . . . -154.48 151.47 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.0 m -107.73 112.16 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.532 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.0 mt -107.04 102.53 43.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 137.97 22.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.618 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.9 mt -99.74 3.87 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.675 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.9 tt0 -62.74 -40.15 61.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.6 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' CD1' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -76.28 -11.02 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.618 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 16.0 m-30 -93.45 -29.89 15.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.2 m -92.56 -36.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.45 -33.11 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.09 -8.95 71.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -172.84 130.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 5.0 mm -125.44 140.15 35.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.95 170.81 19.58 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -117.16 149.77 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.506 ' HB3' ' CD1' ' A' ' 123' ' ' TRP . . . -81.8 103.3 11.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.503 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.4 m-85 -82.24 134.75 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -47.01 128.97 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 119' ' ' LYS . 42.3 t -113.91 114.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.93 171.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 10.4 tppt? -152.31 90.75 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 90.12 -26.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 154.95 -19.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -85.41 137.66 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.405 ' CE1' ' O ' ' A' ' 120' ' ' GLY . 59.2 t80 -77.23 100.4 5.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 112' ' ' VAL . 1.7 mmpt? -66.0 -59.1 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -173.75 -124.32 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -150.15 145.72 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.426 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 12.0 tt -116.67 122.54 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 39.6 m95 -84.79 123.15 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.476 ' CG1' HG11 ' A' ' 14' ' ' VAL . 25.1 t -153.09 137.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -103.32 142.95 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 19.0 mt -117.11 133.58 55.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.54 102.68 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -85.18 153.8 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 40.8 mttp -137.52 91.26 14.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.56 29.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -178.35 127.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.41 -150.58 18.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 19.0 m -111.6 151.04 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.497 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -113.25 141.44 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.497 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -124.48 109.5 13.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' ' 12' ' ' LEU . 30.3 t -98.86 123.43 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.16 91.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.76 94.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.14 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -149.4 -174.16 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.6 130.96 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG2' ' CG2' ' A' ' 55' ' ' THR . 4.7 mttt -112.8 138.71 49.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.57 -151.9 14.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 mt -107.51 165.55 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.42 -18.59 33.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -127.83 46.42 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -162.42 132.42 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -85.18 90.25 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -130.05 120.67 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' CD2' ' CB ' ' A' ' 33' ' ' PRO . 39.0 mt 69.66 32.7 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' LEU . 1.8 t-20 -60.6 -145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.97 74.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.433 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 5.1 ptm -146.97 -174.62 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 23.9 m-20 -121.94 74.54 37.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.543 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 172.12 16.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 26.4 p90 -168.51 135.01 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.1 t -91.18 146.87 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -115.3 96.53 5.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.9 119.41 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -124.94 138.3 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -141.47 89.36 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.235 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 65.81 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 p -111.44 -5.66 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -92.67 116.6 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.77 118.65 30.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' LEU . 51.1 mt-30 -137.64 127.08 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -100.35 165.53 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.67 159.95 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 58' ' ' TRP . 4.5 m120 -47.9 148.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 14.2 t -74.61 132.83 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.46 88.87 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.09 132.62 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.01 64.13 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -112.5 -31.96 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.033 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 97.17 -156.75 20.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 p -81.87 10.59 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.451 ' CG2' ' HG2' ' A' ' 20' ' ' LYS . 9.0 p -140.32 64.27 24.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.3 Cg_endo -74.97 149.43 36.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 8.2 tt0 -124.42 166.19 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 23.7 m-90 -145.78 -48.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 43.3 m-80 56.1 32.91 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.41 -172.86 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 m -152.74 120.37 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 20.7 m-85 -118.13 138.25 52.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.6 mm -109.77 147.42 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 71.7 m-85 -148.52 123.13 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -62.14 128.55 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.577 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 20.1 t -111.92 141.88 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -158.19 -60.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.64 137.03 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.05 -50.45 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.5 m -66.57 94.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -132.98 8.76 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -161.17 145.41 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.481 HD21 ' CG2' ' A' ' 14' ' ' VAL . 14.3 tp -104.76 145.72 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.48 123.42 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.42 102.78 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 11.2 mttm -102.16 120.98 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.518 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.4 mp -82.93 131.23 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.629 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 61.3 m-85 -134.38 -173.91 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' VAL . 9.1 t70 -124.86 130.52 52.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -43.26 -37.9 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.497 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -88.91 42.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 53.6 t -157.82 146.91 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -92.17 134.96 12.48 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -38.62 -31.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' GLY . 36.7 mt-10 -104.7 50.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 26.5 t0 -129.71 -63.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.54 114.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -82.84 116.26 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.518 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.88 -27.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 179.58 -179.88 48.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.93 170.16 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 122' ' ' ILE . . . -155.64 151.94 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 m -111.95 114.24 27.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.586 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.1 mt -109.39 99.59 37.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 137.76 22.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.625 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 3.1 mt -98.8 14.85 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.796 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -74.22 -32.72 1.51 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.01 -25.95 11.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.531 HG11 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -90.44 -26.02 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.625 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 9.0 m-30 -68.6 -29.49 68.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 2.7 m -95.87 -48.2 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.4 mm-40 -72.14 -42.88 65.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.88 -10.98 66.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.3 p -168.59 126.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.531 ' CG1' HG11 ' A' ' 99' ' ' VAL . 3.3 mm -126.39 140.76 38.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.97 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 109' ' ' ALA . 1.2 m -119.2 141.87 48.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -71.06 100.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 94' ' ' ILE . 53.2 m-85 -80.19 135.18 36.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.66 122.09 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.6 t -107.02 111.13 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.26 171.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -148.35 94.05 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 5.5 t0 85.81 -26.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.06 -21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.31 151.55 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -89.26 119.05 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -89.86 -52.16 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.33 -135.45 2.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -143.8 147.73 34.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.458 HG21 ' CB ' ' A' ' 92' ' ' ALA . 9.7 tt -119.98 122.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.437 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 33.8 m95 -84.23 124.36 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 5.9 t -151.56 134.97 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.46 134.21 55.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.511 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.8 mt -106.05 161.33 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.22 74.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 35.0 t80 -55.62 157.83 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -141.68 91.01 8.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.99 29.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.769 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -176.77 126.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.02 -115.15 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.514 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 22.3 m -141.03 158.23 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 4.4 tp -124.44 144.8 49.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.6 tt0 -121.12 119.09 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 73' ' ' LEU . 73.7 t -110.81 114.19 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.78 95.91 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 35' ' ' VAL . 21.5 tp -73.25 90.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 107' ' ' PRO . 47.9 t -66.09 -86.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 p -150.51 -169.98 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.57 136.97 14.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 150.32 42.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.07 -173.93 33.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 3.5 mm? -65.94 -170.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -85.33 -36.21 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -134.91 61.29 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -147.35 124.8 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 105.08 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -143.61 110.2 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.476 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 1.6 mt 70.26 52.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.12 126.1 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.81 35.93 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.5 ptm -154.05 -179.83 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.5 m-20 -128.94 72.82 81.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.78 42.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 46.6 p90 -141.06 147.73 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 16' ' ' LEU . 49.8 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 34.9 tt0 -130.65 97.37 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.569 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -65.23 151.19 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 42' ' ' GLN . 7.5 m -149.02 125.41 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -142.4 86.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.0 OUTLIER 56.01 115.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' ARG . 44.7 p 32.45 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.522 ' O ' ' CG2' ' A' ' 38' ' ' THR . 14.2 mt-30 -135.44 145.03 46.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -149.37 121.15 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.592 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -133.08 120.97 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -103.6 155.98 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.581 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 7.2 p -111.35 176.33 5.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -48.54 153.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 12.1 t -86.9 111.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.78 85.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' VAL . 43.0 mt-10 -78.35 120.24 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.72 64.82 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -31.8 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 107.16 -163.28 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.3 p -75.3 0.29 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -130.49 69.36 82.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.04 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.26 140.02 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.581 ' CD1' ' OG ' ' A' ' 46' ' ' SER . 24.0 m-90 -120.93 -44.59 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 49.79 30.38 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -85.98 179.87 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -145.19 124.03 12.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 99.0 m-85 -119.64 152.41 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 7.4 mm -124.46 141.55 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 69.5 m-85 -136.05 154.75 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -90.24 110.55 21.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 14.9 t -93.71 112.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 68' ' ' GLU . 5.2 t -153.08 85.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' SER . 19.5 tt0 57.22 155.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 -54.95 2.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -69.72 111.55 5.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.518 ' C ' HD22 ' A' ' 96' ' ' LEU . 16.6 p -140.34 14.85 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.589 ' CA ' HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -175.59 146.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 14' ' ' VAL . 4.7 tp -102.35 142.36 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 115.0 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.98 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 15.3 mttp -122.24 116.14 23.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.512 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -83.76 135.44 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 88' ' ' ALA . 76.4 m-85 -133.56 -171.11 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -123.26 129.54 51.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -42.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.511 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.4 m-20 -86.68 44.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 72.9 t -158.07 150.5 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -92.83 133.06 11.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.498 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 20.6 p -38.17 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.4 pt-20 -107.36 54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 62.0 t0 -133.8 -59.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.68 121.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -92.06 115.96 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 1.1 m -42.54 -28.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.66 176.95 48.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.1 pp20? -150.48 165.59 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -150.41 151.26 32.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 m -107.24 113.3 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.3 mt -110.27 97.68 32.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.507 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 150.45 38.2 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.697 ' CD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -105.54 -4.41 21.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -52.81 -42.77 91.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -26.23 11.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -89.43 -7.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.618 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 10.4 m-30 -92.82 -35.14 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.6 m -85.11 -36.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.67 -48.41 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.99 -9.74 55.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.1 p -169.02 130.01 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 5.2 mm -127.9 140.4 38.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.02 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.414 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 103.34 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.56 149.8 30.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.22 105.03 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CD2' HG12 ' A' ' 94' ' ' ILE . 68.2 m-85 -85.62 135.68 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -50.78 126.63 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' LYS . 38.4 t -112.97 113.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.04 169.38 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 15.1 tptt -140.96 88.12 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 3.8 t0 86.12 -21.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.0 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -88.43 135.97 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.414 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 63.3 t80 -75.2 112.74 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 9.9 mmpt? -84.93 -26.59 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 156.65 -144.55 10.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -133.26 148.55 51.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 92' ' ' ALA . 9.7 tt -120.55 124.96 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -86.73 123.81 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.2 t -151.18 143.27 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -111.04 147.91 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 94' ' ' ILE . 18.3 mt -123.46 139.88 53.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.18 95.65 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -74.54 139.5 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -125.63 95.1 41.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.18 16.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 128' ' ' PHE . 18.1 Cg_endo -75.02 -172.59 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.561 1.821 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -170.34 126.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.49 -139.59 5.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 33.7 m -114.7 154.52 28.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.8 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 3.9 tp -119.4 150.33 40.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.4 tt0 -129.0 120.72 26.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 73' ' ' LEU . 52.5 t -113.35 108.21 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.66 104.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -82.71 93.98 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.57 -86.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 3.5 p -149.26 -172.2 4.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.32 119.27 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -109.79 159.77 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.55 -167.43 19.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -86.29 -159.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -81.49 -51.05 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 49.6 m-20 -108.62 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.1 117.58 14.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 26' ' ' ASP . 22.7 t70 -85.67 46.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.588 ' CE1' HD22 ' A' ' 28' ' ' LEU . 19.3 t80 -91.15 118.1 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' A' ' 27' ' ' PHE . 5.4 mt 66.28 60.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -130.35 124.51 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 53.75 58.27 5.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.425 ' HE1' ' CG ' ' A' ' 33' ' ' PRO . 10.6 ptm -166.34 -179.4 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.489 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.3 m-20 -126.88 71.27 74.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.425 ' CG ' ' HE1' ' A' ' 31' ' ' MET . 18.4 Cg_endo -74.99 149.15 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 49.0 p90 -140.21 145.24 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.67 144.47 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.44 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 37.8 tt0 -123.23 95.78 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.706 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.27 129.88 41.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m -127.7 133.99 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -139.88 89.41 2.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 64.18 -86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -118.16 0.42 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.57 126.47 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -128.91 130.66 47.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -148.13 124.34 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 1.4 mtpt -100.18 165.11 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -111.22 169.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -48.52 160.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 3.7 t -88.68 120.48 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.98 85.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.14 112.21 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.21 68.82 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.83 -31.94 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.41 -154.69 16.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.0 p -83.31 1.15 42.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -134.89 67.83 70.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.9 10.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 mt-10 -101.78 137.23 40.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -114.88 -39.84 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 48.25 32.1 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -87.8 179.53 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -147.39 119.97 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 85.8 m-85 -115.87 151.53 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.57 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -124.67 142.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 74.3 m-85 -144.35 130.5 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -66.43 129.52 40.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.535 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 94.0 t -110.79 149.85 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 p -175.75 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.33 145.88 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.42 -56.04 4.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.472 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 2.6 m -57.34 96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 110.363 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.499 ' C ' HD23 ' A' ' 96' ' ' LEU . 3.5 p -132.45 12.61 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.595 ' CA ' HD22 ' A' ' 96' ' ' LEU . 1.5 pt-20 -178.24 144.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.49 ' CD2' HG11 ' A' ' 14' ' ' VAL . 12.2 tp -101.27 146.39 27.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 116.35 31.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -106.05 104.64 14.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 22.4 mttp -109.36 116.51 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.533 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -83.86 130.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 84' ' ' THR . 45.1 m-85 -128.24 -173.12 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 82' ' ' VAL . 52.1 t0 -125.5 128.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -37.83 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 79' ' ' ASP . 6.2 m-20 -62.01 -56.18 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.616 ' CG2' ' CB ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -67.04 -168.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -151.76 49.0 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.566 ' HA ' ' CE1' ' A' ' 78' ' ' PHE . 1.2 p 65.52 -55.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLY . 24.0 mt-10 -78.07 76.42 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.616 ' CB ' ' CG2' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.71 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.07 136.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -103.4 122.21 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.533 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -40.54 -29.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.449 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.25 176.5 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -150.11 167.81 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' ALA . . . -154.08 154.32 33.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.9 m -111.15 114.53 27.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.501 HG22 ' CD1' ' A' ' 126' ' ' LEU . 3.4 mt -111.28 97.36 35.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.502 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.07 150.74 38.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.689 ' CD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -106.17 -3.41 21.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -51.65 -42.96 86.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.04 -29.58 8.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.483 ' CG2' HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -85.21 -4.86 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 11.0 m-30 -97.91 -30.05 12.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.68 -34.8 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.8 -49.36 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.19 -6.47 50.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.3 p -176.81 122.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.483 HG12 ' CG2' ' A' ' 99' ' ' VAL . 31.7 mm -116.22 140.17 26.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 168.08 25.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -117.75 148.4 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -75.9 105.36 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.429 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 69.9 m-85 -83.27 140.13 32.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.17 131.6 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' ' 122' ' ' ILE . 53.9 t -119.22 112.5 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.23 169.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 44.1 tptt -143.12 89.34 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.561 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 4.5 t0 87.05 -22.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.561 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.12 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.7 138.09 31.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.539 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 65.0 t80 -77.36 111.61 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 7.4 mmpt? -80.12 -36.48 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 167.19 -139.94 6.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -135.66 148.56 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 112' ' ' VAL . 5.5 tt -120.72 119.99 61.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 39.3 m95 -82.27 124.53 30.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.41 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 13.3 t -152.25 149.73 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -119.23 143.47 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 94' ' ' ILE . 16.5 mt -116.96 134.33 54.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.12 105.56 5.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.427 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 29.3 t80 -87.91 141.98 28.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -129.03 93.81 35.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 173.46 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.62 -142.74 7.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 88.3 m -112.66 145.45 40.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -115.04 143.83 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -120.69 123.76 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' CG2' ' CD1' ' A' ' 12' ' ' LEU . 61.6 t -115.34 111.27 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.9 t -100.95 90.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.485 HD11 ' CG2' ' A' ' 35' ' ' VAL . 11.6 tp -72.66 91.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 18' ' ' SER . 54.4 t -69.09 -86.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 57' ' ' GLU . 83.8 p -154.31 -176.33 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -140.12 157.26 45.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER -133.21 146.89 51.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.17 158.19 14.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.581 HD21 ' CD2' ' A' ' 118' ' ' TYR . 1.1 mm? -58.95 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.31 -26.86 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.38 56.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.32 121.89 9.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.1 61.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 28' ' ' LEU . 34.2 t80 -122.8 122.77 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER 64.6 76.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -157.86 124.22 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 t30 54.74 49.76 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.9 ptm -160.94 -179.21 7.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.612 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 79.9 m-20 -137.69 74.12 46.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.99 169.52 22.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.9 p90 -153.01 144.68 23.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' A' ' 16' ' ' LEU . 19.7 t -90.06 141.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 9.4 tt0 -122.3 95.65 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.586 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -66.4 118.16 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 5.9 m -114.15 137.28 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 3.4 t -141.68 105.93 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.95 -95.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.41 -21.62 8.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.57 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 4.6 pt20 -91.51 125.62 36.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.75 136.04 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -133.23 122.22 23.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -110.88 165.39 11.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.08 166.48 10.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -49.72 178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.612 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 5.7 m -88.73 148.86 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -77.65 82.78 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLY . 21.5 mt-10 -64.23 128.82 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.04 73.31 0.1 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 18.2 mmt -115.92 -32.87 5.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.11 -127.13 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -105.52 12.26 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.394 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.451 HG23 ' CG ' ' A' ' 20' ' ' LYS . 1.2 p -141.62 75.53 21.86 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.5 Cg_endo -74.95 123.69 8.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 18' ' ' SER . 9.4 tt0 -118.6 130.13 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CH2' ' HB2' ' A' ' 56' ' ' PRO . 12.4 m-90 -109.04 -50.24 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 61.95 40.75 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -98.08 -173.75 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m -147.81 126.93 12.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -125.31 134.19 52.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.1 mm -106.77 155.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 19.6 m-85 -147.71 -178.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -122.64 100.03 6.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 t -82.4 152.9 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 p -145.75 -86.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -142.5 154.38 44.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.19 -55.3 2.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.8 m -66.32 95.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 p -123.87 27.68 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -164.71 155.92 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.493 ' CD2' HG13 ' A' ' 14' ' ' VAL . 6.8 tp -117.46 145.23 44.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -106.63 122.92 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -117.96 104.92 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 18.1 mttp -107.2 127.61 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.489 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -86.74 137.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 96.3 m-85 -143.71 140.1 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -65.52 167.86 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -73.63 -4.36 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.18 57.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 86' ' ' ASP . 7.6 p -161.61 166.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -119.23 137.47 12.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.502 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 62.9 p -33.62 -37.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' GLY . 43.6 mt-10 -104.47 65.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 8.1 t0 -147.88 -68.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.25 123.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.611 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -102.79 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.489 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -41.39 -29.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -176.85 175.52 47.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -149.0 166.16 29.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.37 142.84 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.5 m -97.81 116.62 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.6 mt -110.38 97.81 33.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.07 19.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.578 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.8 mt -97.39 4.32 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -62.03 -40.68 70.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -75.0 -23.51 13.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -90.6 -2.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.1 m-30 -100.47 -33.78 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.5 m -90.65 -29.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.87 -43.12 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.55 -12.18 66.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -165.19 131.48 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.447 HG12 ' CG2' ' A' ' 99' ' ' VAL . 42.3 mm -125.43 138.73 32.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 m -116.81 151.54 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.57 ' HB3' ' CD1' ' A' ' 123' ' ' TRP . . . -86.57 110.97 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.579 ' CD2' HG12 ' A' ' 94' ' ' ILE . 74.8 m-85 -88.09 126.73 35.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.2 OUTLIER -39.92 123.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 15.1 t -104.88 98.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.404 HG11 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -105.44 166.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.1 OUTLIER -141.99 90.63 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.562 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 3.4 t70 84.34 -22.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.12 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' C ' HG11 ' A' ' 113' ' ' VAL . 1.4 mt-10 -86.29 135.69 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 22' ' ' LEU . 33.3 t80 -77.19 110.96 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' VAL . 10.9 mmpt? -86.5 -23.04 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.552 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 153.29 -123.7 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -156.27 159.35 38.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 19.4 tt -127.07 125.07 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 34.8 m95 -88.6 123.58 33.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 123' ' ' TRP . 48.8 t -155.4 132.63 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -100.21 145.41 28.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.476 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 16.2 mt -121.37 142.99 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 m -148.26 100.01 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.461 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 34.5 t80 -79.66 155.83 27.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -142.26 91.33 7.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.947 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.87 128.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.16 -138.76 5.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.9 m -109.71 153.81 23.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 96' ' ' LEU . 1.2 tp -127.06 145.64 50.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -116.68 128.45 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG22 ' CD2' ' A' ' 64' ' ' PHE . 85.9 t -118.87 107.36 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.0 t -99.75 90.88 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.1 tp -72.49 85.22 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 67.2 t -62.52 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 30.8 t -155.06 -169.4 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.458 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -155.66 139.7 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -123.2 144.27 49.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.4 -149.59 21.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -113.22 -179.71 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -11.71 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.65 42.07 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.58 115.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.7 t0 -77.49 104.05 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 28' ' ' LEU . 21.1 t80 -141.3 119.72 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 27' ' ' PHE . 50.0 mt 71.36 35.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' MET . 4.0 t-20 -59.02 -151.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -68.32 68.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.491 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -137.71 -173.77 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.556 ' CA ' ' O ' ' A' ' 48' ' ' VAL . 18.4 m-20 -121.08 71.95 23.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.533 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.94 172.97 15.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 19.4 p90 -162.45 139.76 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.582 HG21 ' CH2' ' A' ' 58' ' ' TRP . 55.6 t -89.88 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.463 ' CB ' ' HG2' ' A' ' 45' ' ' LYS . 35.5 tt0 -128.6 98.4 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -68.57 157.09 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 37' ' ' LEU . 1.6 m -153.38 134.36 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -142.04 91.13 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.26 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.26 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 p -122.75 42.39 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 39' ' ' CYS . 3.7 pt20 -153.45 121.79 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.7 149.66 50.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -144.62 122.14 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 27.0 mtmm -104.93 155.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.475 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.08 -175.26 2.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 46' ' ' SER . 9.5 m-20 -48.0 177.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.631 ' O ' ' C ' ' A' ' 49' ' ' ALA . 27.8 m -102.98 39.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 20.08 73.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 51' ' ' GLY . 20.3 mt-10 -61.32 111.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 34.25 97.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.421 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -116.22 -34.38 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 55' ' ' THR . . . 102.51 76.78 1.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.516 ' O ' ' CG2' ' A' ' 55' ' ' THR . 16.7 p 40.75 27.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 54' ' ' THR . 36.9 p -157.22 73.61 4.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.584 ' O ' ' CZ3' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.05 105.33 2.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 5.2 tt0 -102.16 140.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.584 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 24.0 m-90 -121.22 -51.51 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 62.04 33.32 17.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -172.97 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -147.0 120.82 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CD2' HD23 ' A' ' 37' ' ' LEU . 45.7 m-85 -124.48 116.25 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 15.4 mm -83.28 146.21 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.438 ' CD2' HG22 ' A' ' 14' ' ' VAL . 49.7 m-85 -137.07 126.2 24.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -67.34 120.07 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 98.7 t -104.84 140.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -153.86 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.47 143.93 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.05 -41.17 3.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.409 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 6.8 m -69.23 88.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -115.36 -15.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -145.31 159.83 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 94' ' ' ILE . 16.2 tp -115.08 145.18 42.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -111.06 125.49 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.75 106.87 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 7.6 mttp -105.94 126.45 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.55 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -84.47 142.02 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 84' ' ' THR . 87.9 m-85 -141.84 -170.83 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.96 140.95 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 22.1 tttt -42.3 -38.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.7 71.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 83' ' ' GLY . 6.1 t -153.79 -83.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.497 ' N ' HG13 ' A' ' 82' ' ' VAL . . . 123.59 130.56 3.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.594 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 21.0 p -46.72 -27.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ASP . 2.1 mt-10 -90.89 -48.79 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' GLU . 4.2 t0 -34.43 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' HG12 ' A' ' 82' ' ' VAL . 34.4 t70 -174.45 156.16 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 78' ' ' PHE . . . -110.47 117.6 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.55 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 1.1 m -48.72 -25.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.94 47.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -155.95 167.04 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.423 ' CB ' HG21 ' A' ' 122' ' ' ILE . . . -153.28 143.98 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.3 m -104.13 113.51 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.555 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.4 mt -108.55 101.17 41.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.94 24.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.605 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 11.5 mt -99.19 10.71 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.715 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -68.83 -38.17 11.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -74.95 -25.4 12.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 100' ' ' PHE . 1.4 p -86.35 -5.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -96.02 -30.83 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.12 -32.54 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.14 -38.57 17.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.13 -7.11 81.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -175.14 123.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 37.4 mm -112.55 137.27 21.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.29 2.68 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.72 150.55 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.494 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -82.02 101.8 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CD2' HG12 ' A' ' 94' ' ' ILE . 73.6 m-85 -78.45 138.38 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.87 126.48 16.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.7 t -112.58 112.41 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.86 169.86 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 34.9 tptt -141.58 88.99 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 1.9 t70 86.7 -22.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.26 -20.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -88.1 138.04 31.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.241 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.426 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 67.9 t80 -76.89 118.01 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.94 -54.14 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . -171.66 -126.37 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.38 151.14 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.423 HG21 ' CB ' ' A' ' 92' ' ' ALA . 3.3 tt -121.28 126.21 74.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.494 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 40.0 m95 -89.19 121.93 31.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.4 t -152.48 140.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.71 139.17 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.555 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 6.2 mt -115.16 134.3 55.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -136.76 107.41 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -86.95 147.98 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -137.77 91.3 13.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 144.38 30.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.969 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -171.69 136.42 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.561 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.05 -145.9 12.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 30.5 m -114.27 148.62 37.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.534 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -115.6 145.91 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.483 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -122.99 121.81 37.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.534 ' CG2' ' CD1' ' A' ' 12' ' ' LEU . 86.8 t -111.31 111.17 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' ' OE1' ' A' ' 13' ' ' GLU . 56.3 t -100.79 88.31 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 tp -69.87 92.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.403 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 38.3 t -68.45 -89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 57' ' ' GLU . 40.5 p -157.6 -177.73 6.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.34 148.37 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.0 mttm -130.16 152.74 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.37 172.41 19.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 2.9 mm? -70.36 -168.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -39.04 20.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -111.08 60.48 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.5 118.42 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' CG ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.51 -49.95 67.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CD1' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 52.45 -127.64 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD12 ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -66.2 -3.27 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.499 ' C ' ' O ' ' A' ' 28' ' ' LEU . 4.8 t-20 -32.84 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.05 72.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 28' ' ' LEU . 7.8 mtp -147.56 178.78 8.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.552 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 11.5 m-20 -135.4 57.55 20.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 18.1 Cg_endo -75.03 166.95 28.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.5 p90 -149.12 134.27 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -87.87 145.34 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -125.16 94.31 4.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -63.89 131.07 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.7 m -128.59 138.78 52.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' THR . 42.1 t -142.69 115.18 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 55.92 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 47.9 p -136.79 37.89 2.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 2.8 pt20 -139.28 113.89 9.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -111.27 154.01 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -152.71 121.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 5.1 mtmt -90.11 156.93 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -111.01 161.95 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -48.34 156.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 6.0 t -81.14 128.8 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.37 76.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -68.98 121.83 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.83 77.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.2 mmt -115.45 -31.76 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 -144.22 16.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 29' ' ' ASN . 9.1 p -85.61 9.1 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.422 HG22 ' CG ' ' A' ' 20' ' ' LYS . 16.7 p -140.99 81.53 16.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.548 ' O ' ' CZ3' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.03 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.49 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 5.5 tt0 -94.31 150.26 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 22.2 m-90 -126.33 -51.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.49 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 25.2 m-20 61.35 38.52 16.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.39 -173.86 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 m -151.7 121.78 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.585 ' CD1' HD21 ' A' ' 37' ' ' LEU . 34.4 m-85 -118.52 143.39 46.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.5 mm -114.66 147.82 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.489 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 34.7 m-85 -140.74 164.36 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 109.27 21.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.2 145.07 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -145.85 -67.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' NH1' ' A' ' 40' ' ' ARG . 8.4 pt-20 -161.89 151.12 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.78 -54.66 4.36 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -69.93 107.12 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.44 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 p -127.58 17.92 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.24 158.13 18.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.494 ' CD2' HG12 ' A' ' 14' ' ' VAL . 5.9 tp -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -103.03 123.4 46.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.8 110.78 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 27.2 mttp -114.75 137.61 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.524 ' CG2' HG11 ' A' ' 89' ' ' VAL . 4.8 mp -101.75 134.28 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 89.9 m-85 -137.4 146.41 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 82' ' ' VAL . 41.7 t0 -76.74 135.67 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -46.67 -24.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -78.35 -40.0 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 79' ' ' ASP . 1.2 m -84.6 -176.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -130.83 151.58 19.64 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 24.4 p -38.23 -32.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.1 pt-20 -118.64 84.42 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.92 -71.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -158.89 86.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.6 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -51.0 151.13 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.524 HG11 ' CG2' ' A' ' 77' ' ' ILE . 0.3 OUTLIER -100.63 -10.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.426 ' HA2' ' HB2' ' A' ' 114' ' ' LYS . . . 169.02 156.81 10.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.471 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -147.32 161.37 41.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' N ' ' OE2' ' A' ' 91' ' ' GLU . . . -153.51 145.16 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 m -98.61 116.23 30.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.7 mt -109.49 99.61 37.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.29 18.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 8.9 mt -97.16 7.84 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.684 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -64.73 -39.6 40.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.03 -26.03 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -86.56 -1.75 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.8 m-30 -101.75 -30.76 11.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 m -95.21 -29.34 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.98 -46.92 8.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.35 -13.86 56.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -169.58 124.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 36.5 mm -114.29 139.08 23.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 168.89 23.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 101.91 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -113.92 150.94 32.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . . . -82.61 102.36 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.468 ' CD2' HG12 ' A' ' 94' ' ' ILE . 74.6 m-85 -79.81 134.16 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -48.32 124.05 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.46 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 51.9 t -109.76 115.02 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -117.76 168.25 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 8.1 tppt? -147.96 89.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 8.7 t0 89.16 -25.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.51 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -83.94 136.1 34.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.463 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 81.7 t80 -77.72 97.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.471 ' CE ' ' HB3' ' A' ' 114' ' ' LYS . 6.1 mmtt -61.35 -45.23 95.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.463 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 169.78 -126.78 1.4 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 109' ' ' ALA . 9.4 pt-20 -145.73 143.19 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.46 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 4.8 tt -114.28 123.12 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' SER . 45.2 m95 -85.77 122.84 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.406 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 26.0 t -153.12 139.27 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -109.07 139.57 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.479 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 12.3 mt -114.61 133.86 55.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.74 108.83 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.425 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 32.4 t80 -90.74 154.98 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -139.71 90.98 10.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 142.2 27.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -172.8 134.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.4 -146.05 12.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.588 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 24.2 m -114.54 148.93 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -116.26 144.51 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.505 ' OE1' ' CG2' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -121.79 122.45 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 12' ' ' LEU . 57.9 t -112.17 112.57 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.505 ' CG2' ' OE1' ' A' ' 13' ' ' GLU . 47.5 t -102.07 87.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.508 HD12 ' CG2' ' A' ' 35' ' ' VAL . 17.7 tp -69.95 91.96 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 72.1 t -70.68 -92.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.409 ' HB3' ' HG3' ' A' ' 57' ' ' GLU . 5.6 p -148.66 -173.99 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 56' ' ' PRO . . . -145.24 145.91 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 55' ' ' THR . 6.5 mttt -133.49 144.19 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.29 -172.19 43.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 2.4 mm? -69.35 -169.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -69.22 -47.79 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 5.7 t70 -126.02 57.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -127.76 107.93 10.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.53 78.32 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.631 ' CE2' ' CD1' ' A' ' 28' ' ' LEU . 18.4 t80 -120.08 112.1 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.631 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 7.4 mt 78.51 56.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -138.76 135.38 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 70.67 26.46 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 ptm -151.84 -175.35 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.593 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 18.4 m-20 -135.03 73.07 66.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -75.03 156.04 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.679 ' CD2' ' CD ' ' A' ' 45' ' ' LYS . 30.5 p90 -136.74 145.64 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.508 ' CG2' HD12 ' A' ' 16' ' ' LEU . 38.1 t -91.21 142.43 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -126.96 106.78 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -80.83 144.38 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -133.87 141.24 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -142.49 87.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.601 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.0 OUTLIER 31.88 97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.601 ' OG1' ' O ' ' A' ' 40' ' ' ARG . 1.4 p 75.09 -22.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' A' ' 40' ' ' ARG . 34.6 mt-30 -91.21 139.23 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.07 128.75 15.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.582 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 48.6 mt-30 -139.81 120.38 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.679 ' CD ' ' CD2' ' A' ' 34' ' ' TYR . 6.4 ttpp -120.08 156.87 30.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -110.84 166.48 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -49.51 178.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 2.4 m -90.13 140.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -74.93 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 1.8 mm-40 -91.09 141.27 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.72 57.66 3.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 9.7 mmt -116.35 -32.85 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.45 -148.7 19.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -81.42 6.86 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.49 ' CG2' ' HG2' ' A' ' 20' ' ' LYS . 27.4 p -135.94 80.6 41.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.01 135.48 19.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 11.8 tt0 -118.07 173.18 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.557 ' C ' ' OD1' ' A' ' 59' ' ' ASN . 22.6 m-90 -156.48 -38.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.576 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 47.25 33.25 2.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -90.52 166.18 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -135.05 122.21 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.6 m-85 -116.4 147.44 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -118.27 142.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 37.0 m-85 -132.28 -172.31 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -128.53 123.89 34.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.63 147.85 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.3 p -157.53 -72.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -145.73 138.43 25.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.41 -54.13 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.7 m -60.79 100.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 p -131.74 6.96 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.6 153.13 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.485 HD12 ' CE2' ' A' ' 64' ' ' PHE . 5.7 tp -112.21 143.08 43.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -104.94 129.51 53.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 106.18 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 29.6 mttp -110.01 123.17 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 89' ' ' VAL . 5.1 mp -85.07 139.45 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.708 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 98.5 m-85 -143.68 144.08 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -76.18 136.29 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 32' ' ' ASP . 4.7 ptmt -41.44 -34.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 2.1 t0 -90.27 45.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 85.6 t -157.52 152.43 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -102.16 138.41 13.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 10.2 p -36.9 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' GLY . 39.3 mt-10 -109.66 61.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.6 t0 -141.73 -72.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.08 118.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -91.35 115.32 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -43.78 -27.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.84 173.77 46.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -148.75 166.89 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.419 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -153.97 140.56 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -96.46 115.98 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.523 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.5 mt -109.29 99.67 37.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.621 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 11.6 mt -97.31 7.63 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.686 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.1 tt0 -65.1 -39.5 37.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' A' ' 100' ' ' PHE . 1.3 p -79.66 -8.63 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 16.5 m-30 -96.05 -30.08 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.2 m -93.36 -33.44 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.57 -33.63 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.91 -8.4 76.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.1 p -175.96 131.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 3.9 mm -125.62 140.13 35.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 173.27 14.79 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 102.83 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -115.01 151.7 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . . . -82.26 110.2 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.473 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.5 m-85 -87.2 136.69 32.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.12 120.24 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.415 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 27.5 t -107.59 110.36 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.04 169.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 5.6 tptp -143.55 89.18 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.2 t70 86.61 -22.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.13 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -88.42 138.33 31.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.565 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 53.0 t80 -77.27 113.07 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 5.3 mmpt? -83.58 -30.65 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.565 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 161.06 -137.62 5.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 109' ' ' ALA . 5.1 pt-20 -138.95 148.56 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 110' ' ' TYR . 7.9 tt -118.77 123.7 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.408 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 42.7 m95 -86.34 123.32 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.408 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 30.1 t -153.33 134.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.432 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . . . -101.7 143.4 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.523 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 51.5 mt -120.2 135.56 54.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.72 103.47 4.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -86.37 153.4 21.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -138.69 90.4 12.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.13 38.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.03 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -168.39 141.1 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.05 -164.04 28.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.407 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -102.32 155.76 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.368 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -114.19 139.78 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -126.31 109.46 12.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 12' ' ' LEU . 30.1 t -98.28 141.23 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.84 92.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ASN . 53.1 tp -67.25 94.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 107' ' ' PRO . 93.7 t -74.33 -86.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.451 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 2.0 p -144.51 -178.06 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.4 118.27 6.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -97.64 144.01 27.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.82 -153.5 24.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 118' ' ' TYR . 95.7 mt -119.53 -173.96 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -17.4 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 12.0 t70 -124.76 50.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . . . -166.18 99.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -54.2 90.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CE1' HD23 ' A' ' 28' ' ' LEU . 21.8 t80 -143.73 121.58 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 27' ' ' PHE . 14.3 mt 64.26 53.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' C ' ' HG2' ' A' ' 31' ' ' MET . 29.2 t-20 -124.89 119.62 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 44.06 66.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.529 ' CE ' ' OD1' ' A' ' 79' ' ' ASP . 10.4 ptm -162.3 -174.62 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.5 m-20 -127.65 71.16 77.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.92 22.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 42.8 p90 -130.7 138.36 49.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.3 t -91.3 151.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 35.4 tt0 -131.32 99.28 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.708 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -65.91 135.43 54.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -128.04 135.89 50.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 49.0 t -141.06 97.52 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.39 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' CYS . 11.6 p -134.92 9.29 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -100.43 114.39 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 132.46 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -147.48 123.14 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 12.5 mtpt -94.97 163.22 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -112.34 168.21 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.11 151.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 5.0 t -81.46 115.45 24.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 84.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 51' ' ' GLY . 29.8 mt-10 -73.37 122.38 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.18 75.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.8 mmt -115.1 -32.05 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.04 -143.3 15.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.7 p -99.13 18.08 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -150.02 65.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.85 30.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 51.8 mp0 -119.66 140.7 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CE3' ' HG ' ' A' ' 16' ' ' LEU . 24.2 m-90 -120.95 -43.62 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 51.31 27.38 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -85.31 174.28 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.0 m -137.85 134.37 35.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.708 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 67.5 m-85 -133.56 130.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.2 mm -101.66 146.58 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 39' ' ' CYS . 65.1 m-85 -148.39 122.23 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -63.29 137.75 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.2 t -121.85 158.83 25.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -161.17 -55.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -169.55 157.31 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.4 -53.25 4.45 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -77.72 110.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.2 p -137.57 10.37 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -154.4 137.09 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 94' ' ' ILE . 7.3 tp -95.23 143.01 26.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 118.98 37.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.37 100.29 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.0 mttp -99.66 120.39 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.537 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -88.25 134.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.708 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 97.6 m-85 -133.61 -153.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.529 ' OD1' ' CE ' ' A' ' 31' ' ' MET . 4.1 m-20 -150.1 129.81 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -46.31 -23.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 76.3 m-20 -78.05 -43.36 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.538 ' CG2' ' N ' ' A' ' 83' ' ' GLY . 3.8 m -79.19 -142.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.538 ' N ' ' CG2' ' A' ' 82' ' ' VAL . . . -165.02 153.62 23.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 61.4 p -39.03 -65.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 86' ' ' ASP . 12.5 pt-20 -66.89 -53.77 28.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' A' ' 85' ' ' GLU . 2.5 m-20 -24.32 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -172.45 139.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -103.78 128.66 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 1.1 m -51.74 -22.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.24 -177.46 44.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -152.7 170.11 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -150.78 154.78 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.5 m -110.77 111.73 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' LEU . 3.6 mt -108.79 100.27 38.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.89 18.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.633 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -97.56 15.18 24.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.791 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 0.8 OUTLIER -74.23 -32.92 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 -25.53 11.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.515 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.5 -25.83 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 8.0 m-30 -66.49 -32.98 74.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.525 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.3 m -94.99 -51.31 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.525 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.5 mm-40 -66.4 -43.89 84.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.77 -11.38 66.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 p -167.22 129.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.515 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.5 mm -129.22 140.28 38.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 109.1 2.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.545 1.813 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.06 143.88 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -70.92 100.98 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.522 ' CD2' HG12 ' A' ' 94' ' ' ILE . 51.4 m-85 -85.88 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.42 128.65 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.23 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -109.48 166.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.96 96.09 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 21.6 t0 85.21 -27.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 157.69 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 2.6 mm-40 -87.36 152.55 22.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.43 ' CD2' HD12 ' A' ' 22' ' ' LEU . 81.8 t80 -90.06 119.24 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -90.84 -46.59 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -178.53 -135.8 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -141.15 156.71 45.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.469 HG22 ' CB ' ' A' ' 92' ' ' ALA . 14.6 tt -128.19 121.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.503 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 35.3 m95 -85.9 116.59 24.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.03 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.9 t -142.35 143.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.401 ' HB3' ' CA ' ' A' ' 107' ' ' PRO . . . -124.82 136.31 53.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.507 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 1.7 mt -109.69 159.32 17.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.98 73.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 46.1 t80 -50.31 149.56 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.72 92.17 27.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.496 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.5 OUTLIER 175.21 150.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' CD2' ' A' ' 9' ' ' HIS . . . 146.2 -153.19 25.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.43 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.5 m -100.9 156.25 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 96' ' ' LEU . 3.1 tp -127.8 136.84 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -113.76 107.47 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 37' ' ' LEU . 79.9 t -96.71 117.0 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.43 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 56.7 tp -69.21 86.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 107' ' ' PRO . 68.0 t -60.83 -90.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 17' ' ' VAL . 80.5 p -156.17 -176.41 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.37 157.68 43.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' CB ' HG23 ' A' ' 55' ' ' THR . 1.0 OUTLIER -150.85 148.63 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.47 -169.13 35.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 22' ' ' LEU . 1.6 mm? -83.85 -164.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.4 pt-20 -72.82 -52.5 14.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 40.2 t0 -111.47 61.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.39 106.17 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.72 62.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CD1' HD13 ' A' ' 28' ' ' LEU . 28.5 t80 -121.63 128.78 52.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER 65.83 18.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -59.96 -146.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.43 74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' ASN . 8.9 ptm -154.92 -178.23 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.9 m-20 -131.35 67.33 80.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.4 Cg_endo -74.98 154.96 42.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 38.2 p90 -133.08 147.42 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 34.5 t -92.3 147.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 31.2 tt0 -127.57 96.42 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.704 ' CD1' ' CD2' ' A' ' 62' ' ' PHE . 15.8 mt -63.15 154.05 32.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 42' ' ' GLN . 2.4 m -155.69 123.18 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -142.57 85.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 108.319 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.0 OUTLIER 55.86 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.1 t 33.42 40.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' O ' ' CG2' ' A' ' 38' ' ' THR . 11.6 mt-30 -135.74 144.76 46.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 2.0 p30 -149.53 126.34 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' LEU . 74.1 mt-30 -143.03 122.07 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 15.4 mtmm -104.11 158.14 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.35 169.24 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -48.61 147.55 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 24.0 t -71.65 122.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -63.73 78.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' VAL . 28.2 mt-10 -73.81 121.67 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.7 69.05 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.55 -32.33 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 104.52 -169.33 17.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 0.735 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.417 HG23 ' CB ' ' A' ' 20' ' ' LYS . 3.0 p -127.99 72.72 79.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.3 12.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.75 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 3.4 tt0 -111.07 139.49 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.77 -42.76 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 32.7 m-20 47.1 32.69 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -171.85 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -149.95 127.47 11.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.704 ' CD2' ' CD1' ' A' ' 37' ' ' LEU . 80.6 m-85 -130.95 129.16 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.502 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.5 mm -98.36 140.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -135.46 124.79 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -67.07 119.53 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.5 t -106.7 147.25 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -178.47 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -168.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' CG2' ' A' ' 71' ' ' THR . . . -58.71 -15.63 27.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 m -38.99 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 69' ' ' GLY . 11.9 p -125.86 27.1 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.35 153.66 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' CD2' HD21 ' A' ' 37' ' ' LEU . 27.7 tp -114.16 146.59 40.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 113.1 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.01 105.96 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 14.6 mttp -108.51 136.63 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.518 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.2 mp -104.11 133.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.585 ' CD1' ' HA ' ' A' ' 88' ' ' ALA . 77.4 m-85 -132.69 -171.53 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' VAL . 5.4 t70 -116.17 132.08 56.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.27 -36.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.496 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 t0 -92.24 45.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 68.9 t -157.68 153.26 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -99.5 135.99 12.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 15.8 p -38.07 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.392 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 55.1 mt-10 -106.82 56.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 20.8 t0 -136.8 -67.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -174.41 114.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.585 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -85.43 135.68 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.518 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 2.0 m -60.47 -38.92 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.405 ' HA2' ' CE ' ' A' ' 114' ' ' LYS . . . -163.73 169.25 38.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.86 161.0 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.256 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -150.38 155.24 39.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 m -112.29 111.65 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 110' ' ' TYR . 2.6 mp -105.99 104.06 47.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 137.48 21.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 4.8 mt -96.81 14.91 23.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.797 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -73.38 -32.56 1.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -27.43 10.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.529 HG12 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.48 -25.21 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.64 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 6.3 m-30 -67.51 -22.69 65.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.8 m -106.77 -45.44 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.9 mm-40 -75.78 -36.3 59.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 86.33 -9.35 70.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.2 p -164.86 126.45 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.529 ' CG1' HG12 ' A' ' 99' ' ' VAL . 3.7 mm -130.17 140.95 40.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.451 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.04 112.36 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.76 144.5 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.16 96.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 94' ' ' ILE . 50.2 m-85 -79.01 138.99 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.33 121.8 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 25.3 t -108.71 111.75 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.28 173.48 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 14.7 tppt? -154.03 91.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.606 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.6 t0 90.4 -27.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER 157.33 -21.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.78 151.01 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -86.64 106.98 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -74.7 -43.12 56.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.96 -141.75 6.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -131.98 153.01 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.434 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 7.7 tt -129.19 124.64 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.427 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 34.9 m95 -86.26 126.44 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 6.2 t -151.81 132.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.91 133.7 55.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.489 HD12 ' CG2' ' A' ' 99' ' ' VAL . 5.5 mt -107.3 152.95 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -142.39 63.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 65.6 t80 -55.72 138.02 48.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -126.49 96.4 36.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 143.25 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.97 -166.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -173.34 128.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.74 -156.52 27.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 3.4 m -105.74 153.51 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.507 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -114.03 144.59 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.513 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.7 tt0 -126.82 107.19 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.507 HG22 ' CD1' ' A' ' 12' ' ' LEU . 20.5 t -97.33 123.77 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.86 89.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ASN . 30.0 tp -65.96 92.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 107' ' ' PRO . 25.0 t -67.76 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.434 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 91.3 p -152.12 -173.23 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 148.06 28.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.41 152.72 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.74 -175.53 23.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 3.0 mm? -73.03 -165.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -41.03 13.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -128.99 58.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -133.08 112.2 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.11 85.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CD1' HD12 ' A' ' 28' ' ' LEU . 23.3 t80 -150.6 126.34 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.8 mp 67.58 19.95 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' MET . 3.0 t-20 -59.58 -146.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -61.13 82.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' ASN . 3.4 ptm -162.73 177.96 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 41.7 m-20 -130.22 69.12 81.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.4 Cg_endo -75.0 150.68 38.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 27.6 p90 -126.17 150.71 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' CG1' ' HB1' ' A' ' 75' ' ' ALA . 60.7 t -90.64 146.61 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 30.9 tt0 -122.81 95.93 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.724 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -70.85 131.1 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.3 m -134.06 135.09 43.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -142.43 107.25 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.308 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.54 -84.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.52 13.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' CYS . 3.1 pt20 -108.12 117.2 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 3.1 p-10 -103.47 151.52 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 37' ' ' LEU . 70.5 mt-30 -158.33 123.05 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' CD ' ' CE1' ' A' ' 34' ' ' TYR . 22.2 mtmt -104.73 160.79 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.72 170.51 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -48.58 156.41 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.6 t -81.91 123.11 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -62.68 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' VAL . 22.7 mt-10 -74.42 129.52 37.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.53 72.59 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mmt -116.76 -31.18 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 94.44 -146.38 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -84.63 15.15 3.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.415 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -144.02 78.76 13.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 141.35 26.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 41.8 mp0 -120.91 172.47 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 23.4 m-90 -158.17 -46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 47.44 28.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.79 -178.24 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -143.59 127.23 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.724 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 87.8 m-85 -126.67 135.02 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.5 mm -105.16 145.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -146.57 126.15 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -61.93 139.09 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.58 137.0 58.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -140.59 -60.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.045 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -165.34 151.7 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.1 -58.12 4.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -66.14 108.62 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 p -135.96 19.9 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -164.74 145.88 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.476 HD22 ' CG2' ' A' ' 14' ' ' VAL . 6.4 tp -108.36 141.59 39.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -103.78 118.17 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -114.47 104.84 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.612 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 37.0 mttp -102.95 124.09 47.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.487 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -84.65 131.22 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.685 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 81.2 m-85 -137.51 150.99 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.486 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -73.14 159.58 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.71 -7.54 34.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -124.02 60.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 86' ' ' ASP . 7.3 p -161.83 168.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -117.67 137.28 13.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLY . 19.7 p -36.31 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' GLY . 51.9 mt-10 -107.76 65.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 60.7 t0 -147.85 -68.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.95 120.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.685 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -95.65 116.98 29.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.487 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -39.38 -30.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.07 172.14 45.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -147.53 164.3 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.452 ' CB ' HG23 ' A' ' 122' ' ' ILE . . . -149.26 155.75 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 26.3 m -108.63 114.5 28.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.56 HG12 ' CD2' ' A' ' 110' ' ' TYR . 2.9 mt -108.73 100.26 38.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.03 133.82 17.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.658 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 1.3 mt -98.7 13.63 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.815 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -76.31 -31.17 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.03 -27.58 9.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -84.98 -40.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 128' ' ' PHE . 14.8 m-30 -60.61 -22.95 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.2 t -92.41 -59.2 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.67 -53.5 27.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.8 -16.76 13.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -165.37 117.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.508 ' CG1' HG11 ' A' ' 99' ' ' VAL . 5.0 mm -114.76 140.85 25.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.07 173.76 13.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.0 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.56 143.45 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . . . -74.6 95.51 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CD2' HG12 ' A' ' 94' ' ' ILE . 56.5 m-85 -76.52 133.39 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -47.4 118.71 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 119' ' ' LYS . 22.5 t -106.37 111.9 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.83 169.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 36.7 tptt -142.22 88.93 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 8.7 t0 86.78 -22.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.43 -20.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.71 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 52.4 t80 -74.72 113.03 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 112' ' ' VAL . 7.8 mmpt? -84.84 -32.74 23.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 164.07 -131.66 2.5 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 121' ' ' GLU . 2.0 pm0 -148.73 152.79 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.452 HG23 ' CB ' ' A' ' 92' ' ' ALA . 4.7 tt -121.79 130.72 74.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -92.45 114.89 27.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.022 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.2 t -143.47 130.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -111.47 133.98 53.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.7 mt -106.1 155.6 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.17 79.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 32.9 t80 -55.95 156.32 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -139.99 90.57 10.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 130.97 13.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -165.4 136.34 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.93 -125.51 1.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.505 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 96.8 m -136.05 144.32 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -107.74 143.08 36.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.504 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 2.6 tt0 -125.8 110.24 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 73' ' ' LEU . 36.3 t -102.45 118.2 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.87 91.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 11.7 tp -71.89 93.43 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -72.35 -81.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -151.11 -157.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' HD2' ' A' ' 56' ' ' PRO . . . -158.01 124.29 4.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 121' ' ' GLU . 1.4 mtpt -95.91 156.92 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.49 -140.43 7.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.665 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -163.13 -163.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.43 -26.63 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.509 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t0 -99.87 45.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HB3' ' CG ' ' A' ' 22' ' ' LEU . . . 178.38 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.18 103.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CD1' HD12 ' A' ' 28' ' ' LEU . 33.0 t80 -150.77 133.54 15.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 61.36 78.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.2 122.78 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 t30 49.83 62.07 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.3 ptm -166.07 175.08 8.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 49.0 m-20 -128.48 69.09 78.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.5 Cg_endo -74.94 165.22 31.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 36.9 p90 -147.85 146.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 77.6 t -91.25 136.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 45' ' ' LYS . 2.2 tt0 -125.2 101.92 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.676 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -70.01 139.1 52.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -133.5 128.29 35.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.9 90.24 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 62.79 -90.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -112.78 -2.27 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -94.71 122.48 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -126.75 133.75 50.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 54.6 mt-30 -155.83 122.69 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -124.45 168.84 12.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.55 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -55.29 179.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 2.8 m -91.86 140.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -75.67 86.66 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 18.1 mt-10 -65.58 120.73 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.78 76.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.439 ' HG3' ' CB ' ' A' ' 49' ' ' ALA . 10.4 mmt -116.22 -32.51 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.37 -144.6 16.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 6.7 p -93.08 23.27 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 1.1 p -153.42 69.03 6.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.468 ' CG ' HD21 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 126.21 9.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.15 146.58 36.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -128.38 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 61.56 41.76 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.79 178.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -142.72 124.03 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.676 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 82.5 m-85 -124.13 133.08 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.505 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 3.8 mm -104.53 145.53 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -143.29 122.76 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -61.72 126.38 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -110.12 147.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -161.7 -67.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -147.26 144.12 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.83 -52.13 4.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.502 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 4.5 m -57.81 100.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -136.59 15.18 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -173.44 146.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 14' ' ' VAL . 10.3 tp -107.11 143.51 35.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -104.91 119.87 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.51 104.19 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mttp -103.04 137.63 40.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.533 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -107.27 140.21 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 70.4 m-85 -141.07 -166.62 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 3.0 t70 -119.03 138.12 53.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 5.3 ptmt -40.99 -42.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 14.8 t0 -88.42 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 97.6 t -157.09 150.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -101.34 138.22 13.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' GLY . 12.8 p -36.62 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' GLY . 2.2 pt-20 -107.07 60.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 64.6 t0 -142.77 -68.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -165.84 113.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.576 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . . . -91.12 111.74 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.533 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 1.1 m -39.57 -29.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.91 -175.12 45.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -160.01 166.41 30.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.26 148.36 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.4 m -103.8 114.45 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.3 mt -108.58 100.44 38.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.58 20.54 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.559 1.82 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.624 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 5.0 mt -99.16 11.91 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.737 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -72.32 -36.19 3.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.58 7.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.511 HG11 ' N ' ' A' ' 100' ' ' PHE . 2.0 p -79.09 -29.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 17.8 m-30 -76.94 -20.26 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 t -95.77 -43.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.77 -34.15 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 92.46 -13.0 68.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.5 p -159.89 137.88 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.05 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 126' ' ' LEU . 22.2 mm -137.17 131.32 17.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.22 13.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -110.54 152.96 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.506 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -83.36 100.53 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 57.6 m-85 -82.52 132.74 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -52.62 122.12 8.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.42 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 44.8 t -106.04 116.26 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.54 170.85 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.709 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 21.8 tptt -139.51 89.98 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.709 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 11.2 m-20 80.99 -19.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.554 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.63 -21.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 114' ' ' LYS . 5.3 mt-10 -88.69 138.96 30.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.571 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 46.7 t80 -80.0 117.69 21.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.15 -34.48 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.571 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 168.59 -134.9 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' LYS . 12.5 pt-20 -142.67 152.61 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 110' ' ' TYR . 16.0 tt -123.96 137.05 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.6 m95 -102.79 124.11 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 123' ' ' TRP . 42.1 t -153.52 134.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -104.38 146.86 28.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.48 HD11 ' CG2' ' A' ' 94' ' ' ILE . 3.3 mt -124.46 136.34 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.4 m -143.08 98.37 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' A' ' 100' ' ' PHE . 31.3 t80 -74.35 156.81 36.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -140.49 90.36 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.12 28.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -149.17 134.64 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -102.73 169.71 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.36 -65.21 0.21 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 p -40.79 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -98.93 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.14 177.1 17.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.0 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -171.79 125.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.34 -147.96 12.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.597 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 35.8 m -101.48 149.08 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 96' ' ' LEU . 2.0 tp -123.94 148.37 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' CD1' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.33 147.72 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.466 HG11 ' CD2' ' A' ' 73' ' ' LEU . 47.3 t -141.9 100.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.5 t -94.69 105.59 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 35' ' ' VAL . 24.2 tp -84.84 91.39 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 18' ' ' SER . 56.7 t -67.93 -87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.445 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 28.1 p -153.91 -174.33 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.39 124.17 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -109.41 151.3 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.09 179.37 22.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 3.0 mm? -70.32 -169.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -39.71 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -117.78 61.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.01 120.98 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -82.88 51.99 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE1' HD23 ' A' ' 28' ' ' LEU . 14.6 t80 -96.67 120.87 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.576 HD23 ' CE1' ' A' ' 27' ' ' PHE . 4.7 mt 63.62 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -127.68 124.74 38.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 55.87 58.55 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.438 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 8.9 ptm -165.86 -177.04 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.9 m-20 -130.76 67.96 81.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.2 Cg_endo -74.98 150.36 38.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 45.3 p90 -135.57 150.8 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 16' ' ' LEU . 88.2 t -92.88 148.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -135.05 109.1 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -80.32 165.72 22.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 37' ' ' LEU . 1.3 m -155.58 119.98 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -142.39 98.58 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 60.97 88.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ARG . 27.3 p 34.04 33.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.83 112.18 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.82 166.71 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 69.5 mt-30 -157.76 121.88 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 158.66 20.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.16 175.75 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.064 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -48.51 158.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.4 t -90.42 113.14 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.35 84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' VAL . 23.1 mt-10 -74.87 117.51 16.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 34.92 68.31 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.2 -30.8 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.021 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 109.33 -157.43 15.12 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.107 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 p -79.42 4.33 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 0.731 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 p -136.06 67.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 122.37 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 6.4 mt-10 -96.38 179.63 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 21.2 m-90 -157.13 -45.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 52.5 35.81 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -93.13 -178.33 4.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -153.36 127.39 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 98.8 m-85 -122.69 124.73 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.597 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 23.3 mm -99.53 132.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 67.8 m-85 -125.15 162.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -108.68 105.69 15.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 67' ' ' SER . 21.4 t -81.58 147.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.421 ' HB2' ' NH2' ' A' ' 40' ' ' ARG . 1.1 m -165.94 67.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.49 161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.84 -55.66 4.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 119.99 23.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.8 p -135.6 13.01 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -160.88 149.57 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD2' HG11 ' A' ' 14' ' ' VAL . 5.5 tp -106.99 142.58 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -107.53 129.12 55.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.19 113.23 16.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 19.6 mttp -114.52 139.04 49.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.479 HG21 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -110.97 145.41 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CE2' ' CB ' ' A' ' 88' ' ' ALA . 30.3 m-85 -145.83 -147.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' VAL . 3.8 t0 -136.23 128.0 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -40.09 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -72.19 -54.0 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -70.08 -162.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.475 ' N ' ' CG2' ' A' ' 82' ' ' VAL . . . -141.97 151.4 22.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.435 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 66.6 p -39.8 -37.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.44 77.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.67 -68.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.48 113.19 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.601 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . . . -95.6 114.32 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -43.51 -27.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.66 -176.37 47.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -155.32 171.22 20.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 122' ' ' ILE . . . -152.55 151.91 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -110.94 112.45 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.595 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.4 mt -108.37 101.23 41.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.62 28.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.633 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 10.6 mt -100.7 9.47 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -67.85 -38.22 13.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.95 -30.16 7.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -80.37 -29.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 6.1 m-85 -76.94 -19.36 57.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.0 t -96.82 -43.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.7 -41.93 17.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 97.56 -9.18 64.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -165.11 124.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 48.7 mm -121.66 134.77 24.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.06 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.46 148.01 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.45 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.437 ' HB3' ' CE2' ' A' ' 123' ' ' TRP . . . -77.97 103.04 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.441 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.9 m-85 -84.71 132.65 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.92 123.99 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 40.7 t -107.13 112.19 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.8 168.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.1 90.86 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.6 t0 83.48 -22.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.33 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.1 mt-10 -84.55 137.25 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 120' ' ' GLY . 35.2 t80 -78.22 108.34 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.506 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 10.2 mmpt? -77.31 -44.04 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.582 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 171.12 -123.96 1.08 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -149.95 146.72 27.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 5.3 tt -118.79 121.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 109' ' ' ALA . 39.5 m95 -83.86 122.36 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.401 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 12.8 t -151.46 148.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.96 149.9 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.595 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 4.7 mt -128.71 147.36 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 13' ' ' GLU . 59.4 m -151.79 113.99 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 8' ' ' PRO . 19.5 t80 -90.46 145.11 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -135.83 90.78 18.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.4 19.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 t -59.65 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.08 -148.05 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 105.31 2.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 -56.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.6 t -82.38 98.27 8.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -115.33 150.49 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.59 160.14 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.25 -144.02 9.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.48 -60.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 158.69 34.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.74 -171.16 42.71 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -74.98 142.56 28.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 67' ' ' SER . 2.6 p-80 -167.42 118.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 170.57 -131.02 2.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.557 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 61.8 m -111.84 137.18 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 96' ' ' LEU . 1.2 tp -117.62 137.73 52.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -108.2 137.2 46.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.28 108.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 t -102.84 99.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.7 tp -79.05 84.51 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.38 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 14.7 p -146.26 -177.78 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' HD2' ' A' ' 56' ' ' PRO . . . -157.74 118.17 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CB ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -109.61 148.93 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.6 -147.14 19.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -121.87 -171.27 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -105.03 -17.59 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -120.19 48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.85 111.12 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.02 88.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.603 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 11.6 t80 -142.03 111.88 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 5.4 mt 75.83 71.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -138.8 120.35 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 46.25 67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.8 ptm -163.84 175.67 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 64.7 m-20 -129.78 69.29 81.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -74.94 156.35 43.24 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 19.1 p90 -132.05 148.94 52.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 36' ' ' GLN . 78.2 t -90.51 140.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 35' ' ' VAL . 19.0 tt0 -118.15 94.78 4.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.694 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 48.9 mt -68.9 142.11 54.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -142.55 128.95 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -135.82 93.88 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.46 -84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.4 p -125.47 2.2 7.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -98.49 121.77 40.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.79 135.65 55.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -150.5 125.37 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -104.39 166.68 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -110.82 165.78 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -47.95 159.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' GLU . 6.4 t -81.07 119.41 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -62.04 78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' VAL . 21.1 mt-10 -69.08 121.73 17.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.13 79.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.8 mmt -116.1 -32.0 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.03 -132.37 10.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -106.29 12.15 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 110.445 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' CB ' ' A' ' 20' ' ' LYS . 1.8 p -150.65 76.73 8.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -75.04 136.6 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 55.3 mp0 -112.14 132.56 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.455 ' C ' ' N ' ' A' ' 60' ' ' GLU . 25.1 m-90 -111.89 -37.05 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 108.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' TRP . 0.8 OUTLIER 39.31 30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' TRP . 20.6 mm-40 -84.72 -177.12 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -145.65 120.98 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 40.9 m-85 -124.67 127.17 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.9 mm -98.4 141.21 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 28.5 m-85 -134.97 128.28 32.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -70.13 124.33 23.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -113.52 133.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.509 ' HA ' ' CB ' ' A' ' 9' ' ' HIS . 2.3 t -144.33 -67.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' GLU . 5.0 pt-20 -144.22 118.45 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.15 -30.5 7.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -69.27 92.24 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.7 p -128.58 2.77 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 1.1 pt-20 -174.69 143.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 37' ' ' LEU . 14.8 tp -103.33 146.25 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -112.34 113.79 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -109.88 117.45 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 17.0 mttt -116.07 140.64 49.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -106.79 125.03 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.721 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 96.3 m-85 -132.06 163.21 28.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.489 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 5.2 t0 -83.67 156.22 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -62.28 -12.0 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -120.46 68.82 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.494 ' CG2' ' HB3' ' A' ' 86' ' ' ASP . 7.6 p -173.98 168.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -118.28 134.79 11.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' GLY . 66.9 p -35.25 -36.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLY . 31.0 mt-10 -97.52 57.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 15.6 t0 -142.2 -65.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 175.56 119.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.721 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -96.92 131.27 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.5 OUTLIER -44.18 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.89 179.05 47.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.0 171.62 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 0.761 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -152.85 139.21 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 15.6 m -95.22 112.37 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.588 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.7 mt -106.74 101.64 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.99 145.44 31.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 100' ' ' PHE . 8.2 mt -101.17 0.52 37.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.8 tt0 -58.34 -42.13 93.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.23 7.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -86.92 -0.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 8.4 m-30 -99.29 -31.91 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.6 m -95.31 -31.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.11 -33.28 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.47 71.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -172.4 134.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.486 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 5.2 mm -131.08 140.41 38.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 104.02 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 109' ' ' ALA . 1.1 m -114.61 148.0 38.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.486 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -79.67 101.34 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 89.1 m-85 -79.2 136.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.98 128.43 21.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.6 113.36 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.32 172.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 30.5 tptt -150.13 90.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 13.2 t0 89.16 -27.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.5 OUTLIER 158.63 -21.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 2.1 mm-40 -86.42 151.12 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -86.05 113.66 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -81.92 -54.64 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.41 -136.44 2.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -138.84 152.66 48.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 110' ' ' TYR . 6.8 tt -125.73 121.53 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.486 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 45.9 m95 -87.44 121.67 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.41 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 22.2 t -152.9 145.95 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -111.92 149.87 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.588 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 20.0 mt -125.82 142.37 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.95 93.57 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -76.58 158.84 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.6 mttm -149.11 89.75 4.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.88 28.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 86.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -154.18 7.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 135.25 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 88.45 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -71.85 167.19 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.18 136.39 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.07 -160.4 10.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -175.61 141.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 110.049 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.26 161.4 33.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.21 -172.35 44.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 179.07 140.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.78 -116.29 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.49 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 36.8 m -140.04 150.85 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 126' ' ' LEU . 14.2 tp -117.52 149.35 40.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tt0 -124.3 96.47 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG12 ' CD2' ' A' ' 37' ' ' LEU . 64.1 t -86.37 120.94 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.44 93.85 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.81 87.23 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.17 -87.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -146.47 -167.19 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -160.09 116.95 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 149.88 24.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.56 -141.74 8.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.9 mt -119.18 165.12 14.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.96 -19.49 37.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -126.44 46.02 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -163.57 129.94 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.0 90.63 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CE1' ' HG ' ' A' ' 28' ' ' LEU . 7.6 t80 -131.55 126.25 34.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' HG ' ' CE1' ' A' ' 27' ' ' PHE . 15.1 mt 69.12 32.07 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' MET . 6.7 t30 -60.41 -148.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.88 73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -146.72 179.66 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 11.8 m-20 -119.7 77.79 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 166.22 29.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.4 p90 -162.35 130.97 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' CG2' HG13 ' A' ' 77' ' ' ILE . 76.1 t -92.9 154.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' CB ' ' HG2' ' A' ' 45' ' ' LYS . 16.2 tt0 -124.08 95.41 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -65.14 121.27 14.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.459 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 88.1 m -124.19 138.67 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.457 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.26 98.11 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 108.317 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 -88.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.0 p -120.03 1.62 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -97.72 114.92 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.61 119.13 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -134.77 123.68 23.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 23.7 mtmt -104.42 166.52 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -112.1 159.23 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -48.62 149.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 13.7 t -74.71 116.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.61 86.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' GLY . 28.7 mt-10 -77.43 131.17 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.69 73.96 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.51 -32.38 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.43 -150.98 18.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 55' ' ' THR . 1.4 p -89.85 26.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 54' ' ' THR . 1.2 p -161.66 70.17 2.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.457 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.04 141.49 26.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -119.76 139.93 51.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -119.52 -43.11 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 44.81 34.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.7 172.03 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -134.74 125.41 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.578 ' CD2' HD22 ' A' ' 37' ' ' LEU . 52.0 m-85 -126.12 126.48 44.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.4 mm -97.83 143.64 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 26.5 m-85 -137.22 139.34 40.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -74.54 110.61 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -96.36 148.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 -72.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -140.83 140.07 34.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.76 -46.63 2.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -63.75 84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 p -111.51 -16.14 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.16 163.13 40.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 38' ' ' THR . 16.0 tp -117.32 145.62 43.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -109.52 122.59 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.91 102.53 8.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 38.5 mttp -103.63 138.52 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.515 ' O ' ' CA ' ' A' ' 88' ' ' ALA . 4.9 mp -101.81 119.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.711 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 90.6 m-85 -125.78 168.5 13.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 82' ' ' VAL . 59.9 t0 -93.75 135.46 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 13.0 ptmt -49.9 -20.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' N ' ' C ' ' A' ' 79' ' ' ASP . 16.5 t0 -81.07 -34.09 32.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 79' ' ' ASP . 1.3 m -94.69 -168.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -138.42 145.28 16.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.564 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 59.6 p -35.47 -34.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' GLY . 18.2 mt-10 -99.88 70.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.33 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.78 121.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.711 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -102.58 124.02 47.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -43.35 -27.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -175.28 -179.16 45.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.85 172.22 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -156.21 138.53 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 16.5 m -99.25 113.98 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' LEU . 3.6 mt -106.69 102.5 42.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.0 137.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.568 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 17.6 mt -97.62 10.51 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.707 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tt0 -67.89 -38.57 14.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.05 -25.28 11.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -84.89 -7.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 15.4 m-30 -96.89 -31.12 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.8 m -93.31 -31.54 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.05 -32.3 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -11.36 58.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.6 p -166.32 129.65 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 47.1 mm -121.34 134.79 24.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.26 25.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.434 ' CA ' ' HB3' ' A' ' 125' ' ' ALA . 18.2 Cg_endo -74.99 102.12 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -117.21 152.45 34.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.513 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -80.19 107.94 13.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 73.3 m-85 -85.24 143.44 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.12 131.88 52.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 122' ' ' ILE . 44.7 t -112.85 114.72 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.85 170.56 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 31.3 tptt -142.29 89.38 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 1.2 t70 83.63 -21.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 160.23 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.61 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 12.0 pt-20 -81.14 165.73 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -102.01 117.95 35.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.448 ' CE ' ' HG3' ' A' ' 117' ' ' GLU . 6.6 mmpt? -88.41 -55.81 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -167.88 -137.46 2.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -140.93 143.83 34.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.453 ' N ' HG22 ' A' ' 112' ' ' VAL . 15.4 tt -118.49 123.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.513 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 29.7 m95 -83.8 119.16 24.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.521 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 10.5 t -136.73 156.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.474 ' C ' ' CD1' ' A' ' 126' ' ' LEU . . . -143.12 123.72 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -115.76 137.11 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 m -135.79 94.58 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.56 156.8 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -143.55 90.5 7.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.3 t -79.36 85.95 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -143.67 -141.8 3.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 80.57 2.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -164.56 138.61 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -169.86 124.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.59 120.88 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -147.11 84.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.45 -91.4 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 55.13 103.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.53 136.24 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.42 -173.73 20.99 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 178.92 119.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.3 -142.3 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 53.1 m -111.21 144.36 40.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -109.38 146.91 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -128.84 112.8 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 12' ' ' LEU . 41.7 t -105.16 112.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.3 t -97.17 89.51 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD13 ' CG ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -65.76 104.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' TRP . 40.0 t -85.41 -86.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 123' ' ' TRP . 48.6 p -156.37 -173.54 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.54 128.28 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 153.53 27.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.76 -179.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 118' ' ' TYR . 2.6 mm? -77.71 164.58 25.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.61 -50.09 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -114.87 64.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.63 116.03 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.56 55.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CE1' HD23 ' A' ' 28' ' ' LEU . 16.2 t80 -114.12 121.44 43.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD23 ' CE1' ' A' ' 27' ' ' PHE . 27.8 mt 72.58 24.83 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' MET . 2.3 t-20 -60.92 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.14 73.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.7 ptm -148.49 -173.2 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 12.2 m-20 -133.51 65.87 72.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.1 Cg_endo -74.94 160.45 40.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 35.4 p90 -141.46 147.8 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.547 HG21 ' CH2' ' A' ' 58' ' ' TRP . 97.5 t -92.39 148.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -137.97 95.7 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.697 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.69 126.3 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.7 m -119.97 139.21 52.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 40.4 t -136.8 89.52 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.21 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.0 p -114.41 -26.4 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.442 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 11.6 pt20 -91.51 124.74 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 0.6 OUTLIER -134.02 173.58 11.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 67.9 mt-30 -157.16 140.37 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -104.91 158.41 16.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.95 172.32 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -53.21 165.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.0 t -93.04 120.12 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.67 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLY . 24.1 mt-10 -75.56 120.33 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.3 73.76 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmt -115.45 -31.99 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 108.91 -162.06 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 p -80.03 3.48 20.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.407 ' N ' ' HD3' ' A' ' 56' ' ' PRO . 10.7 p -134.95 64.02 60.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 55' ' ' THR . 18.3 Cg_endo -74.97 126.52 10.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 18' ' ' SER . 1.5 mt-10 -109.22 123.37 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.633 ' CG ' HD13 ' A' ' 16' ' ' LEU . 27.5 m-90 -93.44 -44.29 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 107.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 54.17 39.7 30.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . 7.9 mm-40 -94.84 171.73 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 119.65 16.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.697 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 55.8 m-85 -118.52 146.99 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.504 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.2 mm -118.36 142.86 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 40.5 m-85 -143.28 135.24 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -80.91 125.32 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 67' ' ' SER . 45.7 t -111.86 143.74 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.6 t 156.99 44.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.93 43.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' THR . . . 88.51 -28.83 6.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' GLY . 51.5 m -37.85 110.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.404 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.2 p -140.42 32.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.83 153.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 94' ' ' ILE . 4.3 tp -118.76 141.84 48.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.88 119.32 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.45 111.04 20.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 10.7 mttp -111.66 136.9 50.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.46 ' O ' ' CA ' ' A' ' 88' ' ' ALA . 5.0 mp -109.7 141.87 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.666 ' CE2' ' CB ' ' A' ' 88' ' ' ALA . 31.4 m-85 -141.9 -163.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 82' ' ' VAL . 18.4 t0 -116.62 135.67 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -44.63 -28.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 79' ' ' ASP . 67.8 m-20 -100.71 43.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 53.1 t -153.49 150.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.428 ' N ' HG11 ' A' ' 82' ' ' VAL . . . -93.53 135.48 12.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.5 p -38.13 -32.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 83' ' ' GLY . 33.9 mt-10 -106.98 55.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.487 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.4 t70 -135.45 -68.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.83 114.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.666 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . . . -92.86 117.55 30.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.455 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -41.18 -29.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.32 176.07 45.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -146.97 170.61 16.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -155.15 140.54 17.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 m -96.76 115.65 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.3 mt -108.32 100.21 36.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.99 135.21 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.603 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.1 mt -96.79 6.15 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.682 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.0 tt0 -63.15 -39.76 54.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.02 -25.94 11.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 100' ' ' PHE . 1.2 p -88.56 -3.56 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 12.5 m-30 -97.94 -31.76 12.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 m -93.6 -34.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.67 -44.4 14.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.74 -13.04 61.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 p -167.44 129.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 44.3 mm -120.4 138.64 27.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 109' ' ' ALA . 1.5 m -121.59 146.09 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.547 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -78.81 105.44 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 69.0 m-85 -81.66 131.78 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -44.63 123.63 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 119' ' ' LYS . 25.2 t -110.88 111.39 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.22 169.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 46.5 tptt -143.55 88.99 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.1 t70 87.21 -22.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.565 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.76 -21.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 3.9 mt-10 -87.34 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.561 ' CD2' HD21 ' A' ' 22' ' ' LEU . 66.6 t80 -76.95 113.87 15.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' VAL . 4.0 mmpt? -86.84 -29.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 159.73 -136.38 4.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 109' ' ' ALA . 7.6 pt-20 -143.29 149.15 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 9.5 tt -116.82 121.31 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.547 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 36.2 m95 -83.46 123.72 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 14' ' ' VAL . 46.9 t -154.8 133.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.51 138.53 39.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.508 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 11.9 mt -113.99 136.36 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.98 96.47 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.406 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 38.4 t80 -77.16 155.12 32.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -138.72 91.78 11.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.59 32.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.0 t -77.92 86.08 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.78 -147.94 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 63.67 6.01 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.8 m 65.5 75.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.944 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 20.3 p 49.37 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.84 128.61 37.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 0.782 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -151.02 133.04 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.94 -129.18 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t 75.43 -57.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m 63.26 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.46 -166.25 18.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.02 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.16 124.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.604 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.44 -140.57 6.27 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 48.7 m -121.6 144.69 48.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.523 ' CD1' HG21 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -112.1 144.84 40.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 3.1 tt0 -125.14 102.74 7.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.523 HG21 ' CD1' ' A' ' 12' ' ' LEU . 7.6 t -91.74 125.62 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 125' ' ' ALA . 58.7 t -115.39 86.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 14.1 tp -70.47 89.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 55.6 t -63.15 -88.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p -149.72 -170.78 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.17 135.73 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.48 150.28 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 -175.41 28.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.0 mm? -79.46 -151.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -100.67 -40.32 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -113.26 60.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.85 131.37 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 29' ' ' ASN . 2.1 t0 -91.85 35.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 28' ' ' LEU . 20.2 t80 -85.73 126.55 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 66.45 25.63 10.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 26' ' ' ASP . 1.6 t-20 -60.82 -147.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.52 76.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.0 ptm -148.52 -172.93 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.494 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 1.3 m-20 -132.56 66.16 76.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -74.99 163.86 34.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.555 1.818 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 32.4 p90 -147.6 141.47 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 46.0 t -91.83 145.23 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' N ' HG11 ' A' ' 35' ' ' VAL . 22.9 tt0 -129.06 96.08 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -68.49 156.06 38.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 m -149.23 134.76 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 29.4 t -134.02 107.64 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.4 mmm180 67.95 -84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 p -138.86 17.47 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -114.04 114.76 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -108.72 148.74 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -152.02 122.43 7.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 3.3 mtmt -87.19 159.22 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -111.16 167.44 10.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -48.26 155.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 12.1 t -88.3 124.57 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -68.87 82.11 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -76.03 114.35 14.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.56 73.12 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmt -115.55 -23.44 8.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.72 -151.14 19.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -88.3 27.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -155.37 70.08 5.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.96 123.52 7.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 17' ' ' VAL . 13.6 tt0 -112.67 137.62 50.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.467 ' CH2' HG21 ' A' ' 35' ' ' VAL . 22.8 m-90 -112.37 -49.62 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 108.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 54.47 40.58 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -96.0 -175.13 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.0 m -145.47 117.19 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.425 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CD2' HD21 ' A' ' 37' ' ' LEU . 62.4 m-85 -118.24 124.57 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.2 mm -94.78 150.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 18.3 m-85 -147.83 145.54 28.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.44 115.58 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 t -97.8 148.85 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -177.15 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -156.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.51 25.67 8.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.31 101.44 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 110.375 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.7 p -121.23 40.27 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 6.5 pt-20 -177.89 136.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' A' ' 94' ' ' ILE . 5.0 tp -96.62 141.43 29.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -104.25 125.63 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -123.06 99.2 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 4.1 mttp -100.3 123.23 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.483 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -89.36 144.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.62 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 98.6 m-85 -142.76 -170.61 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.97 133.05 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -43.7 -35.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.498 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 36.7 m-20 -91.12 41.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 84.0 t -157.33 153.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -98.88 134.26 11.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.458 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 25.2 p -36.46 -36.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.22 54.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 65.1 t0 -137.68 -66.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -167.86 119.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.62 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -94.76 116.12 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.483 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -40.86 -30.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.1 -179.83 48.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.45 171.32 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' CB ' HG23 ' A' ' 122' ' ' ILE . . . -156.55 144.28 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 18.0 m -104.43 112.3 25.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.2 mt -106.93 102.06 40.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.97 136.02 19.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.0 mt -96.04 4.07 52.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.5 tt0 -60.46 -40.76 79.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -83.43 -8.72 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 13.5 m-30 -94.44 -33.89 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.4 m -90.25 -32.62 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.83 -37.68 16.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -12.19 68.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 18.8 p -164.8 129.27 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 99' ' ' VAL . 43.5 mm -122.5 137.73 28.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.98 102.76 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -116.27 155.4 28.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.454 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 108' ' ' THR . . . -85.56 114.95 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 72.8 m-85 -93.67 137.01 33.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.93 131.4 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 122' ' ' ILE . 50.3 t -118.44 113.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.68 169.88 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 43.3 tptt -143.16 88.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 87.38 -22.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.22 -21.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.23 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 64.0 t80 -77.56 113.07 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -81.71 -37.36 27.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 169.23 -141.45 6.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -137.15 142.1 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.428 HG23 ' CB ' ' A' ' 92' ' ' ALA . 5.8 tt -113.5 120.71 64.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -80.65 113.34 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 107.992 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.606 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 47.6 t -129.06 160.62 39.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.454 ' C ' HD13 ' A' ' 126' ' ' LEU . . . -148.88 116.08 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -105.35 141.7 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER -137.8 86.6 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.457 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 30.5 t80 -60.7 163.1 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -147.5 90.44 5.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.1 p -63.52 87.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.24 -145.8 12.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.24 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.4 p -177.11 131.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.03 155.14 17.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.28 152.35 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.963 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.24 141.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.19 -149.86 17.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m 58.8 83.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.43 163.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 178.46 38.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.01 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.19 144.9 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.67 -140.44 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 94.2 m -107.42 150.75 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' A' ' 96' ' ' LEU . 1.1 tp -125.68 143.69 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.3 tt0 -110.77 146.21 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 73' ' ' LEU . 52.9 t -136.19 106.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 t -102.55 103.6 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 35' ' ' VAL . 13.5 tp -85.55 91.83 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.7 t -68.65 -89.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.11 -171.98 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.25 140.13 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' CG ' HG21 ' A' ' 55' ' ' THR . 3.3 mttt -123.63 147.09 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.59 -177.34 29.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 22' ' ' LEU . 2.8 mm? -74.55 -168.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.18 -40.57 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.53 61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.88 127.14 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.91 38.05 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CE1' HD23 ' A' ' 28' ' ' LEU . 13.4 t80 -83.39 114.92 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD23 ' CE1' ' A' ' 27' ' ' PHE . 17.0 mt 76.06 31.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -60.01 -146.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -63.37 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.6 ptm -153.49 -179.14 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.509 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 m-20 -126.53 73.52 74.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.4 8.64 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CD2' ' HD2' ' A' ' 45' ' ' LYS . 41.6 p90 -161.61 144.28 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.561 HG21 ' CH2' ' A' ' 58' ' ' TRP . 34.0 t -91.72 140.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 45' ' ' LYS . 3.3 tt0 -125.25 100.03 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -64.4 143.16 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.65 120.78 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -130.62 91.34 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.287 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? 63.12 -84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.1 p -119.79 -5.11 10.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -92.72 115.21 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.15 120.59 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 69.3 mt-30 -132.33 122.39 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HD2' ' CD2' ' A' ' 34' ' ' TYR . 1.5 ttpm? -122.37 156.13 34.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.429 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -110.1 165.23 11.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' SER . 2.9 m120 -49.3 177.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 6.5 m -91.01 148.86 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -80.72 87.68 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.1 mt-10 -70.42 132.49 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.23 67.3 0.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.03 -32.46 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.98 -153.28 20.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 p -82.52 10.31 7.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.445 HG21 ' CG ' ' A' ' 20' ' ' LYS . 3.2 p -138.7 73.54 40.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.177 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.477 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 153.12 41.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.79 150.74 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CH2' HG21 ' A' ' 35' ' ' VAL . 16.5 m-90 -130.69 -51.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LEU . 20.5 m-20 61.92 34.72 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -177.61 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m -144.75 124.41 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 42.5 m-85 -126.48 121.8 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 8.1 mm -89.93 141.57 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 44.3 m-85 -132.21 124.91 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -68.53 120.34 14.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.35 148.02 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -176.92 74.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 56.67 161.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.94 -55.13 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 11.7 m -66.11 116.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.1 p -141.85 13.3 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.74 152.63 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD2' HG11 ' A' ' 14' ' ' VAL . 12.5 tp -112.97 145.52 40.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -109.66 127.57 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.87 123.26 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.597 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 10.9 mttp -121.31 140.49 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.465 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 4.8 mp -114.97 144.34 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 76' ' ' LYS . 14.6 m-85 -144.18 -159.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' VAL . 34.2 t0 -120.22 140.67 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' CB ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -53.57 -28.24 30.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -73.06 -22.14 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -110.47 -176.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -129.69 154.91 20.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 21.8 p -37.16 -32.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' GLY . 3.7 pt-20 -107.65 78.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.79 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.88 112.44 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.589 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . . . -89.49 116.08 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -48.52 -29.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.56 176.29 44.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.01 168.26 23.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -146.66 151.0 36.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 m -107.15 113.12 26.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.591 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.5 mt -108.15 101.48 41.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.4 24.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.611 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 9.2 mt -98.19 7.38 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.664 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.8 tt0 -63.99 -41.59 63.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.1 Cg_endo -75.04 -28.45 9.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.428 ' O ' ' CB ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -84.6 -3.57 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 1.9 m-85 -100.08 -23.84 14.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.36 -32.09 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.74 -36.28 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.59 76.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -174.26 123.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.436 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 35.2 mm -111.52 139.87 22.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.06 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 101.58 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -116.29 150.1 38.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -83.2 105.13 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.54 ' CD2' HG12 ' A' ' 94' ' ' ILE . 79.1 m-85 -82.0 137.34 35.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -51.39 127.96 21.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.6 t -112.91 110.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -108.3 172.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 12.4 tptt -146.84 90.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.1 t0 87.18 -25.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER 158.53 -22.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 3.3 mm-40 -86.88 153.14 21.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.418 ' CD2' HD21 ' A' ' 22' ' ' LEU . 46.8 t80 -86.49 127.24 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.77 -31.88 10.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 161.13 -142.87 8.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 109' ' ' ALA . 4.5 pt-20 -135.26 149.41 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.436 ' CG2' ' HB2' ' A' ' 110' ' ' TYR . 3.3 tt -119.15 121.8 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 44.7 m95 -83.8 121.44 27.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.408 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 23.7 t -153.11 141.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -114.72 142.87 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.591 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 2.7 mt -119.77 151.61 38.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -150.08 112.34 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 25.8 t80 -91.93 144.15 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -133.86 90.33 27.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 133.02 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.3 t -60.07 88.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -122.03 170.23 14.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 76.78 3.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -164.89 -59.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 45.5 p -50.75 131.96 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -95.24 126.59 40.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 m -146.08 165.54 28.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 148.71 20.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -151.88 132.69 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -164.41 154.1 13.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.07 -168.02 40.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -75.0 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -168.16 135.79 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.08 -127.62 1.88 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.609 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 63.9 m -125.82 152.27 45.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -119.49 130.8 55.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.54 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -110.39 123.19 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.572 ' CG2' HD11 ' A' ' 12' ' ' LEU . 67.3 t -118.61 108.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG2' ' OE2' ' A' ' 13' ' ' GLU . 43.7 t -98.69 95.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 17.3 tp -71.48 85.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.62 -84.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.417 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 80.0 p -153.33 -171.19 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.68 147.1 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.41 144.25 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.08 174.06 19.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 118' ' ' TYR . 3.0 mm? -68.31 -171.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.71 -9.32 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.43 53.32 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.42 -156.88 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -145.72 79.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 28' ' ' LEU . 33.4 t80 -148.06 124.24 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.5 mp 66.62 36.03 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.31 121.53 45.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 41.75 77.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 9.9 ptm -171.74 -179.83 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 32.7 m-20 -129.79 68.22 80.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.08 160.37 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 50.5 p90 -142.7 146.53 34.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.457 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 85.0 t -91.24 148.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 8.6 tt0 -134.64 97.55 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.62 139.73 57.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' HD22 ' A' ' 73' ' ' LEU . 3.5 m -133.98 141.19 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.7 OUTLIER -141.67 95.39 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.3 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.38 8.62 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.575 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 3.4 pt20 -109.73 114.11 27.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -110.05 155.55 21.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -150.42 120.8 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 4.6 mtmp? -90.71 155.74 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.57 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -59.08 157.36 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 8.2 t -86.1 126.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.59 89.38 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' GLY . 45.0 mt-10 -82.38 130.98 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.12 70.61 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.46 -32.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.81 -146.61 18.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -88.42 21.05 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 p -148.8 70.26 10.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 144.0 29.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mp0 -119.29 172.36 7.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 24.8 m-90 -158.0 -46.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 26.04 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -176.35 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -150.81 119.05 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 93.1 m-85 -114.72 147.59 39.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.609 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.9 mm -123.47 140.31 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 60.6 m-85 -139.55 144.9 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -79.01 131.48 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.81 140.18 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -141.69 -70.56 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.59 145.6 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.7 -41.86 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 44.8 m -69.2 94.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -128.25 33.05 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -176.13 150.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 74' ' ' LYS . 2.3 tm? -107.51 151.74 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.524 ' N ' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.52 127.03 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.76 103.58 6.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.2 mttp -104.02 131.45 51.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.501 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -97.11 138.18 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.72 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 98.4 m-85 -139.36 -169.15 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 82' ' ' VAL . 14.2 t70 -121.43 130.06 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -42.38 -33.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.498 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.2 t0 -94.36 44.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.505 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 79.2 t -157.54 154.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -97.44 136.14 12.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -38.45 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 83' ' ' GLY . 4.7 pt-20 -108.36 59.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 30.1 t0 -138.63 -70.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -168.05 111.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.72 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -86.94 116.52 25.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.4 OUTLIER -39.81 -30.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 178.79 -177.84 48.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.71 174.33 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.504 ' CB ' HG23 ' A' ' 122' ' ' ILE . . . -158.54 140.58 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 m -107.11 111.14 23.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.6 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 2.7 mp -106.62 107.07 59.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.31 24.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 9.7 mt -96.06 3.84 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.668 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tt0 -60.75 -40.85 78.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -27.29 10.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' A' ' 105' ' ' ILE . 1.1 p -89.51 -4.27 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 9.4 m-30 -95.22 -34.1 12.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -88.55 -34.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -84.75 -46.11 11.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.78 -4.83 61.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.163 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.5 p -170.07 128.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.49 HG12 ' CG2' ' A' ' 99' ' ' VAL . 39.6 mm -126.76 140.84 38.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.93 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -111.62 148.41 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.515 ' HB3' ' CD1' ' A' ' 123' ' ' TRP . . . -83.85 106.06 15.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.589 ' CD2' HG12 ' A' ' 94' ' ' ILE . 95.2 m-85 -86.39 134.86 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.65 121.56 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 122' ' ' ILE . 56.2 t -105.31 113.3 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.1 172.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -148.43 92.62 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 10.9 t0 85.82 -26.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.16 -21.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 2.8 mm-40 -85.97 152.1 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 22' ' ' LEU . 58.5 t80 -88.03 119.98 28.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 4.0 mmpt? -93.42 -23.89 18.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 149.32 -144.17 11.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -133.12 146.4 51.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.504 HG23 ' CB ' ' A' ' 92' ' ' ALA . 4.5 tt -118.86 122.79 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 39.0 m95 -84.55 126.08 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.411 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 30.2 t -153.68 139.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.68 145.23 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.6 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 9.8 mt -119.94 140.85 50.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -148.96 88.66 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 11' ' ' THR . 41.1 t80 -73.34 144.38 46.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -127.59 90.69 47.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 146.71 33.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -98.91 61.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.56 -148.41 2.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 75.81 3.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m 57.19 105.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.88 118.86 20.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -134.48 129.36 35.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -112.48 158.42 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.06 162.28 21.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -141.64 109.3 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 149.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.45 -172.63 45.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 -179.04 4.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -166.41 130.43 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.9 -136.86 4.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.415 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 54.2 m -130.18 143.48 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -106.39 144.71 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 2.4 tt0 -127.15 102.17 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.499 HG22 ' CD1' ' A' ' 12' ' ' LEU . 23.2 t -89.17 125.16 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.15 91.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 59' ' ' ASN . 7.9 tp -69.82 91.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.43 -85.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' TRP . 83.8 p -157.72 -167.64 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -156.11 142.38 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.39 153.37 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.11 -174.49 30.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' CD2' ' HA2' ' A' ' 120' ' ' GLY . 2.8 mm? -73.4 164.91 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -51.66 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.46 67.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -135.68 119.0 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' ASP . 5.3 t0 -78.45 74.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.525 ' CE2' HD13 ' A' ' 28' ' ' LEU . 13.9 t80 -125.61 118.91 26.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 27' ' ' PHE . 13.1 mt 75.36 33.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.8 t-20 -63.51 -147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 72.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.2 ptm -144.76 -173.06 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.487 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 19.3 m-20 -126.1 71.39 69.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' C ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.0 150.96 38.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 43.1 p90 -149.14 134.87 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 77' ' ' ILE . 87.1 t -92.01 148.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 15.2 tt0 -120.16 97.19 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.591 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -66.04 128.02 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 m -129.58 134.34 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.37 110.66 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 108.309 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.504 ' CD ' ' OG1' ' A' ' 70' ' ' THR . 0.0 OUTLIER 60.26 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -136.81 10.29 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -101.31 114.68 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.03 130.41 55.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -148.3 124.01 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 34' ' ' TYR . 18.6 mtpt -97.52 166.36 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -110.85 169.7 8.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -48.59 158.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.0 t -88.34 105.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.48 90.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLY . 14.9 mt-10 -77.47 116.24 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.62 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.3 mmt -110.44 -31.22 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 54' ' ' THR . . . 102.72 70.83 0.86 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER 43.9 26.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 54' ' ' THR . 31.4 p -157.07 74.91 4.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.466 ' CG ' HD12 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 112.01 3.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' CD ' ' ND2' ' A' ' 59' ' ' ASN . 25.0 tt0 -102.12 132.61 47.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.462 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 17.8 m-90 -113.93 -58.97 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.034 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' LEU . 21.1 m-20 63.41 36.42 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -171.15 2.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 4.7 m -148.75 119.91 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 44.3 m-85 -120.17 133.11 55.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.3 mm -103.42 152.99 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 43.7 m-85 -152.48 129.72 11.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -73.48 130.58 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.44 147.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t -159.04 -52.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -167.9 140.96 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.86 -52.82 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m -69.76 104.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.1 p -130.22 5.09 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -164.41 143.56 7.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ILE . 6.8 tp -99.93 142.31 31.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 123.54 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.85 102.96 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.4 mttp -105.42 132.19 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.479 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 4.0 mp -102.27 142.73 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.693 ' CE2' ' CB ' ' A' ' 88' ' ' ALA . 78.5 m-85 -143.28 -158.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' VAL . 14.2 t0 -124.9 126.02 44.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 -29.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 22.0 t70 -70.66 -54.75 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 79' ' ' ASP . 1.4 m -68.93 -163.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -140.4 155.02 24.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 45' ' ' LYS . 6.0 p -40.26 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' GLY . 59.7 mt-10 -116.07 82.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.28 -69.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.83 114.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.693 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . . . -93.64 117.85 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.479 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.91 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.47 178.42 46.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.454 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -149.07 176.93 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 122' ' ' ILE . . . -161.34 141.97 11.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 23.7 m -100.1 114.72 28.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.0 mt -108.46 100.15 36.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.03 136.75 20.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.619 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 21.2 mt -96.51 6.04 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.686 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.7 tt0 -62.69 -39.83 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -28.47 9.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -83.56 -10.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.619 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -92.19 -34.83 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 m -88.87 -35.37 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.27 -29.38 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.99 -8.52 50.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.7 p -168.48 130.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.959 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.3 mm -125.03 137.11 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.2 Cg_endo -74.98 111.13 3.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -124.78 158.4 33.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' N ' HG21 ' A' ' 108' ' ' THR . . . -89.73 112.37 23.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 90.9 m-85 -89.54 135.81 33.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.95 124.28 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 49.5 t -109.61 112.61 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.89 172.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.685 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 45.5 tptt -146.3 90.23 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.685 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 76.5 m-20 81.96 -21.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.539 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.25 -21.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 114' ' ' LYS . 1.2 mt-10 -86.49 137.54 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.487 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 64.7 t80 -77.89 101.74 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -68.49 -42.15 79.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.487 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 170.09 -130.01 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -145.0 143.27 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.794 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 5.4 tt -114.4 118.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' SER . 33.9 m95 -78.38 120.67 23.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.604 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 4.6 t -141.79 165.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.508 ' N ' ' CG1' ' A' ' 124' ' ' VAL . . . -152.63 122.71 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.529 HD13 ' CG1' ' A' ' 124' ' ' VAL . 0.1 OUTLIER -109.1 140.65 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.95 88.49 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 26.7 t80 -63.94 159.9 18.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -143.21 88.67 8.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.21 26.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.9 m -81.26 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -116.62 -143.5 7.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 62.97 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 87.1 p -89.97 110.56 21.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.32 164.38 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.64 149.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -175.13 118.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.69 -144.75 16.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -86.03 155.12 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -128.31 89.89 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.02 -167.32 27.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.8 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 113.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.96 -136.92 3.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.501 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 50.0 m -125.48 146.9 49.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.495 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -109.0 148.21 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 2.1 tt0 -131.23 110.31 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 12' ' ' LEU . 24.9 t -105.38 109.4 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -96.51 92.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.65 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.62 102.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 18' ' ' SER . 7.7 t -81.04 -85.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.51 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 9.9 p -151.55 -170.19 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -157.9 136.44 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -112.3 156.71 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' LEU . . . -124.43 54.02 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 21' ' ' GLY . 51.8 mt 45.04 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.65 8.5 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.2 41.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.77 128.34 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 8.6 p-10 -82.39 50.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CD1' HD13 ' A' ' 28' ' ' LEU . 31.5 t80 -104.68 128.52 52.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER 67.01 20.09 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' MET . 5.3 t-20 -60.75 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.1 74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.1 ptm -149.33 -172.69 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.55 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.6 m-20 -132.41 62.99 66.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.0 164.0 34.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.607 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 50.7 p90 -143.27 146.02 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.19 147.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 14.4 tt0 -140.29 107.28 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.724 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -76.02 165.45 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -149.02 127.14 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 1.8 t -142.45 89.2 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.1 OUTLIER 60.16 96.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' ARG . 76.9 p 32.36 38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -147.04 112.36 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 3.1 p30 -125.61 165.34 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 69.1 mt-30 -152.52 120.79 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 20.2 mtmt -86.04 154.77 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.632 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.33 171.11 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -48.37 152.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.3 t -78.7 133.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.21 82.66 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.7 mt-10 -73.79 119.41 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.87 64.65 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.24 -32.16 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 105.79 -171.67 18.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -65.12 -9.88 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -126.81 72.54 75.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.08 13.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 60.1 mp0 -108.19 125.75 52.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.632 ' CD1' ' OG ' ' A' ' 46' ' ' SER . 19.6 m-90 -104.3 -46.76 4.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 108.004 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER 54.12 34.98 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -84.55 -177.48 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -150.8 122.63 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.724 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 81.4 m-85 -121.16 147.1 46.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.501 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 4.5 mm -118.55 143.14 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 39' ' ' CYS . 73.4 m-85 -142.3 154.22 44.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -93.65 129.18 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 26.8 t -114.19 149.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' HG12 ' A' ' 66' ' ' VAL . 1.5 t -156.64 -76.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -145.13 145.58 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.22 -58.15 4.74 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 m -70.41 105.27 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.434 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 p -131.55 12.92 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.25 153.45 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 94' ' ' ILE . 3.8 tp -112.86 139.88 48.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 127.98 53.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.58 114.43 21.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 12.9 mttp -117.73 141.23 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.556 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 4.4 mp -116.44 149.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.607 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 5.6 m-85 -147.97 -154.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' VAL . 28.4 t70 -121.26 136.94 54.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.47 ' HE3' ' CB ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -45.63 -29.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 3.8 t0 -99.5 40.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 79' ' ' ASP . 52.5 t -152.33 148.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -92.73 139.73 14.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.492 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 9.3 p -35.73 -37.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.34 63.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.452 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 2.0 t0 -140.52 -52.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -177.72 109.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.588 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . . . -87.16 135.39 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' CG2' HG21 ' A' ' 77' ' ' ILE . 2.9 m -71.29 -35.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.409 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . -169.61 164.87 38.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -145.39 167.24 23.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.449 ' N ' ' OE1' ' A' ' 91' ' ' GLU . . . -154.48 151.47 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.0 m -107.73 112.16 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.532 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.0 mt -107.04 102.53 43.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 137.97 22.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.618 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.9 mt -99.74 3.87 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.675 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.9 tt0 -62.74 -40.15 61.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.6 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' CD1' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -76.28 -11.02 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.618 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 16.0 m-30 -93.45 -29.89 15.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.2 m -92.56 -36.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.45 -33.11 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.09 -8.95 71.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -172.84 130.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 5.0 mm -125.44 140.15 35.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.95 170.81 19.58 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -117.16 149.77 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.506 ' HB3' ' CD1' ' A' ' 123' ' ' TRP . . . -81.8 103.3 11.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.503 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.4 m-85 -82.24 134.75 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -47.01 128.97 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 119' ' ' LYS . 42.3 t -113.91 114.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.93 171.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 10.4 tppt? -152.31 90.75 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 90.12 -26.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 154.95 -19.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -85.41 137.66 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.405 ' CE1' ' O ' ' A' ' 120' ' ' GLY . 59.2 t80 -77.23 100.4 5.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 112' ' ' VAL . 1.7 mmpt? -66.0 -59.1 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -173.75 -124.32 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -150.15 145.72 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.426 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 12.0 tt -116.67 122.54 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 39.6 m95 -84.79 123.15 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.476 ' CG1' HG11 ' A' ' 14' ' ' VAL . 25.1 t -153.09 137.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -103.32 142.95 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 19.0 mt -117.11 133.58 55.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.54 102.68 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -85.18 153.8 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 40.8 mttp -137.52 91.26 14.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.56 29.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 81.23 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.03 -146.72 2.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 85.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.58 145.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.2 p -80.24 110.1 15.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 151.21 37.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -101.51 147.84 25.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.38 142.15 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -162.28 129.1 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.01 163.02 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.69 -175.66 40.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -178.35 127.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.41 -150.58 18.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 19.0 m -111.6 151.04 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.497 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -113.25 141.44 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.497 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -124.48 109.5 13.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' ' 12' ' ' LEU . 30.3 t -98.86 123.43 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.16 91.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.76 94.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.14 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -149.4 -174.16 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.6 130.96 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG2' ' CG2' ' A' ' 55' ' ' THR . 4.7 mttt -112.8 138.71 49.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.57 -151.9 14.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 mt -107.51 165.55 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.42 -18.59 33.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -127.83 46.42 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -162.42 132.42 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -85.18 90.25 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -130.05 120.67 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' CD2' ' CB ' ' A' ' 33' ' ' PRO . 39.0 mt 69.66 32.7 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' LEU . 1.8 t-20 -60.6 -145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.97 74.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.433 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 5.1 ptm -146.97 -174.62 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 23.9 m-20 -121.94 74.54 37.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.543 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 172.12 16.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 26.4 p90 -168.51 135.01 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.1 t -91.18 146.87 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -115.3 96.53 5.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.9 119.41 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -124.94 138.3 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -141.47 89.36 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.235 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 65.81 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 p -111.44 -5.66 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -92.67 116.6 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.77 118.65 30.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' LEU . 51.1 mt-30 -137.64 127.08 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -100.35 165.53 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.67 159.95 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 58' ' ' TRP . 4.5 m120 -47.9 148.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 14.2 t -74.61 132.83 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.46 88.87 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.09 132.62 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.01 64.13 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -112.5 -31.96 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.033 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 97.17 -156.75 20.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 p -81.87 10.59 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.451 ' CG2' ' HG2' ' A' ' 20' ' ' LYS . 9.0 p -140.32 64.27 24.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.3 Cg_endo -74.97 149.43 36.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 8.2 tt0 -124.42 166.19 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 23.7 m-90 -145.78 -48.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 43.3 m-80 56.1 32.91 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.41 -172.86 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 m -152.74 120.37 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 20.7 m-85 -118.13 138.25 52.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.6 mm -109.77 147.42 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 71.7 m-85 -148.52 123.13 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -62.14 128.55 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.577 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 20.1 t -111.92 141.88 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -158.19 -60.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.64 137.03 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.05 -50.45 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.5 m -66.57 94.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -132.98 8.76 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -161.17 145.41 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.481 HD21 ' CG2' ' A' ' 14' ' ' VAL . 14.3 tp -104.76 145.72 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.48 123.42 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.42 102.78 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 11.2 mttm -102.16 120.98 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.518 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.4 mp -82.93 131.23 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.629 ' CB ' ' CE1' ' A' ' 34' ' ' TYR . 61.3 m-85 -134.38 -173.91 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' VAL . 9.1 t70 -124.86 130.52 52.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -43.26 -37.9 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.497 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -88.91 42.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 53.6 t -157.82 146.91 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -92.17 134.96 12.48 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -38.62 -31.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' GLY . 36.7 mt-10 -104.7 50.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 26.5 t0 -129.71 -63.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.54 114.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -82.84 116.26 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.518 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.88 -27.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 179.58 -179.88 48.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.93 170.16 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 122' ' ' ILE . . . -155.64 151.94 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 m -111.95 114.24 27.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.586 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.1 mt -109.39 99.59 37.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 137.76 22.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.625 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 3.1 mt -98.8 14.85 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.796 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -74.22 -32.72 1.51 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.01 -25.95 11.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.531 HG11 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -90.44 -26.02 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.625 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 9.0 m-30 -68.6 -29.49 68.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 2.7 m -95.87 -48.2 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.4 mm-40 -72.14 -42.88 65.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.88 -10.98 66.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.3 p -168.59 126.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.531 ' CG1' HG11 ' A' ' 99' ' ' VAL . 3.3 mm -126.39 140.76 38.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.97 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 109' ' ' ALA . 1.2 m -119.2 141.87 48.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -71.06 100.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 94' ' ' ILE . 53.2 m-85 -80.19 135.18 36.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.66 122.09 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.6 t -107.02 111.13 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.26 171.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -148.35 94.05 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 5.5 t0 85.81 -26.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.06 -21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.31 151.55 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -89.26 119.05 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -89.86 -52.16 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.33 -135.45 2.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -143.8 147.73 34.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.458 HG21 ' CB ' ' A' ' 92' ' ' ALA . 9.7 tt -119.98 122.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.437 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 33.8 m95 -84.23 124.36 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 5.9 t -151.56 134.97 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.46 134.21 55.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.511 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.8 mt -106.05 161.33 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.22 74.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 35.0 t80 -55.62 157.83 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -141.68 91.01 8.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.99 29.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.6 m -74.52 57.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.28 -146.14 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 172.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.77 -57.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.572 1.17 . . . . 0.0 110.968 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.49 123.93 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 123.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.56 147.8 6.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.85 93.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -176.49 151.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -175.81 44.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.769 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -176.77 126.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.02 -115.15 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.514 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 22.3 m -141.03 158.23 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 4.4 tp -124.44 144.8 49.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.6 tt0 -121.12 119.09 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 73' ' ' LEU . 73.7 t -110.81 114.19 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.78 95.91 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 35' ' ' VAL . 21.5 tp -73.25 90.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 107' ' ' PRO . 47.9 t -66.09 -86.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 p -150.51 -169.98 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.57 136.97 14.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 150.32 42.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.07 -173.93 33.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 3.5 mm? -65.94 -170.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -85.33 -36.21 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -134.91 61.29 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -147.35 124.8 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 105.08 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -143.61 110.2 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.476 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 1.6 mt 70.26 52.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.12 126.1 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.81 35.93 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.5 ptm -154.05 -179.83 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.5 m-20 -128.94 72.82 81.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.78 42.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 46.6 p90 -141.06 147.73 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 16' ' ' LEU . 49.8 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 34.9 tt0 -130.65 97.37 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.569 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -65.23 151.19 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 42' ' ' GLN . 7.5 m -149.02 125.41 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -142.4 86.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.0 OUTLIER 56.01 115.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' ARG . 44.7 p 32.45 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.522 ' O ' ' CG2' ' A' ' 38' ' ' THR . 14.2 mt-30 -135.44 145.03 46.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -149.37 121.15 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.592 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -133.08 120.97 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -103.6 155.98 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.581 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 7.2 p -111.35 176.33 5.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -48.54 153.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 12.1 t -86.9 111.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.78 85.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' VAL . 43.0 mt-10 -78.35 120.24 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.72 64.82 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -31.8 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 107.16 -163.28 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.3 p -75.3 0.29 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -130.49 69.36 82.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.04 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.26 140.02 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.581 ' CD1' ' OG ' ' A' ' 46' ' ' SER . 24.0 m-90 -120.93 -44.59 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 49.79 30.38 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -85.98 179.87 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -145.19 124.03 12.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 99.0 m-85 -119.64 152.41 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 7.4 mm -124.46 141.55 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 69.5 m-85 -136.05 154.75 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -90.24 110.55 21.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 14.9 t -93.71 112.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 68' ' ' GLU . 5.2 t -153.08 85.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' SER . 19.5 tt0 57.22 155.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 -54.95 2.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -69.72 111.55 5.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.518 ' C ' HD22 ' A' ' 96' ' ' LEU . 16.6 p -140.34 14.85 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.589 ' CA ' HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -175.59 146.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 14' ' ' VAL . 4.7 tp -102.35 142.36 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 115.0 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.98 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 15.3 mttp -122.24 116.14 23.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.512 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -83.76 135.44 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 88' ' ' ALA . 76.4 m-85 -133.56 -171.11 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -123.26 129.54 51.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -42.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.511 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.4 m-20 -86.68 44.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 72.9 t -158.07 150.5 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -92.83 133.06 11.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.498 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 20.6 p -38.17 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.4 pt-20 -107.36 54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 62.0 t0 -133.8 -59.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.68 121.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -92.06 115.96 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 1.1 m -42.54 -28.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.66 176.95 48.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.1 pp20? -150.48 165.59 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -150.41 151.26 32.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 m -107.24 113.3 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.3 mt -110.27 97.68 32.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.507 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 150.45 38.2 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.697 ' CD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -105.54 -4.41 21.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -52.81 -42.77 91.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -26.23 11.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -89.43 -7.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.618 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 10.4 m-30 -92.82 -35.14 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.6 m -85.11 -36.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.67 -48.41 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.99 -9.74 55.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.1 p -169.02 130.01 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 5.2 mm -127.9 140.4 38.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.02 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.414 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 103.34 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.56 149.8 30.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.22 105.03 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CD2' HG12 ' A' ' 94' ' ' ILE . 68.2 m-85 -85.62 135.68 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -50.78 126.63 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' LYS . 38.4 t -112.97 113.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.04 169.38 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 15.1 tptt -140.96 88.12 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 3.8 t0 86.12 -21.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.0 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -88.43 135.97 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.414 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 63.3 t80 -75.2 112.74 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 9.9 mmpt? -84.93 -26.59 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 156.65 -144.55 10.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -133.26 148.55 51.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 92' ' ' ALA . 9.7 tt -120.55 124.96 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -86.73 123.81 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.2 t -151.18 143.27 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -111.04 147.91 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 94' ' ' ILE . 18.3 mt -123.46 139.88 53.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.18 95.65 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -74.54 139.5 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -125.63 95.1 41.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.4 Cg_endo -74.94 133.18 16.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t -58.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . -76.71 -144.92 1.77 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.76 29.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t 76.3 169.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.8 m -173.09 168.06 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -177.87 106.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -167.9 104.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.24 160.52 10.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.58 154.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -158.52 169.26 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.62 -164.36 26.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 128' ' ' PHE . 18.1 Cg_endo -75.02 -172.59 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.561 1.821 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -170.34 126.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.49 -139.59 5.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 33.7 m -114.7 154.52 28.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.8 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 3.9 tp -119.4 150.33 40.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.4 tt0 -129.0 120.72 26.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 73' ' ' LEU . 52.5 t -113.35 108.21 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.66 104.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -82.71 93.98 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.57 -86.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 3.5 p -149.26 -172.2 4.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.32 119.27 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -109.79 159.77 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.55 -167.43 19.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -86.29 -159.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -81.49 -51.05 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 49.6 m-20 -108.62 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.1 117.58 14.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 26' ' ' ASP . 22.7 t70 -85.67 46.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.588 ' CE1' HD22 ' A' ' 28' ' ' LEU . 19.3 t80 -91.15 118.1 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' A' ' 27' ' ' PHE . 5.4 mt 66.28 60.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -130.35 124.51 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 53.75 58.27 5.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.425 ' HE1' ' CG ' ' A' ' 33' ' ' PRO . 10.6 ptm -166.34 -179.4 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.3 m-20 -126.88 71.27 74.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' CG ' ' HE1' ' A' ' 31' ' ' MET . 18.4 Cg_endo -74.99 149.15 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 49.0 p90 -140.21 145.24 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.67 144.47 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.44 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 37.8 tt0 -123.23 95.78 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.706 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.27 129.88 41.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m -127.7 133.99 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -139.88 89.41 2.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 64.18 -86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -118.16 0.42 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.57 126.47 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -128.91 130.66 47.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -148.13 124.34 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 1.4 mtpt -100.18 165.11 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -111.22 169.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -48.52 160.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 3.7 t -88.68 120.48 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.98 85.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.14 112.21 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.21 68.82 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.83 -31.94 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.41 -154.69 16.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.0 p -83.31 1.15 42.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -134.89 67.83 70.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.9 10.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 mt-10 -101.78 137.23 40.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -114.88 -39.84 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 48.25 32.1 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -87.8 179.53 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -147.39 119.97 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 85.8 m-85 -115.87 151.53 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.57 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -124.67 142.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 74.3 m-85 -144.35 130.5 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -66.43 129.52 40.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.535 HG12 ' CZ ' ' A' ' 100' ' ' PHE . 94.0 t -110.79 149.85 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 p -175.75 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.33 145.88 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.42 -56.04 4.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.472 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 2.6 m -57.34 96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 110.363 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.499 ' C ' HD23 ' A' ' 96' ' ' LEU . 3.5 p -132.45 12.61 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.595 ' CA ' HD22 ' A' ' 96' ' ' LEU . 1.5 pt-20 -178.24 144.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.49 ' CD2' HG11 ' A' ' 14' ' ' VAL . 12.2 tp -101.27 146.39 27.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 116.35 31.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -106.05 104.64 14.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 22.4 mttp -109.36 116.51 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.533 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -83.86 130.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 84' ' ' THR . 45.1 m-85 -128.24 -173.12 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 82' ' ' VAL . 52.1 t0 -125.5 128.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -37.83 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 79' ' ' ASP . 6.2 m-20 -62.01 -56.18 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.616 ' CG2' ' CB ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -67.04 -168.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -151.76 49.0 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.566 ' HA ' ' CE1' ' A' ' 78' ' ' PHE . 1.2 p 65.52 -55.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLY . 24.0 mt-10 -78.07 76.42 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.616 ' CB ' ' CG2' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.71 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.07 136.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -103.4 122.21 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.533 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -40.54 -29.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.449 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.25 176.5 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -150.11 167.81 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' ALA . . . -154.08 154.32 33.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.9 m -111.15 114.53 27.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.501 HG22 ' CD1' ' A' ' 126' ' ' LEU . 3.4 mt -111.28 97.36 35.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.502 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.07 150.74 38.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.689 ' CD1' ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -106.17 -3.41 21.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -51.65 -42.96 86.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.04 -29.58 8.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.483 ' CG2' HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -85.21 -4.86 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 11.0 m-30 -97.91 -30.05 12.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.68 -34.8 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.8 -49.36 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.19 -6.47 50.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.3 p -176.81 122.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.483 HG12 ' CG2' ' A' ' 99' ' ' VAL . 31.7 mm -116.22 140.17 26.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 168.08 25.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -117.75 148.4 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -75.9 105.36 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.429 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 69.9 m-85 -83.27 140.13 32.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.17 131.6 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' ' 122' ' ' ILE . 53.9 t -119.22 112.5 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.23 169.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 44.1 tptt -143.12 89.34 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.561 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 4.5 t0 87.05 -22.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.561 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.12 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.7 138.09 31.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.539 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 65.0 t80 -77.36 111.61 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 7.4 mmpt? -80.12 -36.48 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 167.19 -139.94 6.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -135.66 148.56 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 112' ' ' VAL . 5.5 tt -120.72 119.99 61.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 39.3 m95 -82.27 124.53 30.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.41 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 13.3 t -152.25 149.73 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -119.23 143.47 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 94' ' ' ILE . 16.5 mt -116.96 134.33 54.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.12 105.56 5.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.427 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 29.3 t80 -87.91 141.98 28.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -129.03 93.81 35.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.9 p -59.24 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -98.88 -148.94 24.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.5 p -133.82 150.46 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.0 m -77.88 109.31 11.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 61.93 131.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.3 145.15 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.77 155.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.69 97.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.56 167.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.17 -176.65 51.75 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 173.46 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.62 -142.74 7.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 88.3 m -112.66 145.45 40.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -115.04 143.83 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -120.69 123.76 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' CG2' ' CD1' ' A' ' 12' ' ' LEU . 61.6 t -115.34 111.27 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.9 t -100.95 90.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.485 HD11 ' CG2' ' A' ' 35' ' ' VAL . 11.6 tp -72.66 91.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 18' ' ' SER . 54.4 t -69.09 -86.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 57' ' ' GLU . 83.8 p -154.31 -176.33 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -140.12 157.26 45.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER -133.21 146.89 51.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.17 158.19 14.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD21 ' CD2' ' A' ' 118' ' ' TYR . 1.1 mm? -58.95 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.31 -26.86 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.38 56.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.32 121.89 9.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.1 61.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 28' ' ' LEU . 34.2 t80 -122.8 122.77 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER 64.6 76.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -157.86 124.22 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 t30 54.74 49.76 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.9 ptm -160.94 -179.21 7.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.612 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 79.9 m-20 -137.69 74.12 46.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.99 169.52 22.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.9 p90 -153.01 144.68 23.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' A' ' 16' ' ' LEU . 19.7 t -90.06 141.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 9.4 tt0 -122.3 95.65 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -66.4 118.16 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 5.9 m -114.15 137.28 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 3.4 t -141.68 105.93 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.95 -95.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.41 -21.62 8.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.57 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 4.6 pt20 -91.51 125.62 36.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.75 136.04 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -133.23 122.22 23.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -110.88 165.39 11.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.08 166.48 10.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -49.72 178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.612 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 5.7 m -88.73 148.86 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -77.65 82.78 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLY . 21.5 mt-10 -64.23 128.82 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.04 73.31 0.1 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 18.2 mmt -115.92 -32.87 5.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.11 -127.13 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -105.52 12.26 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.394 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.451 HG23 ' CG ' ' A' ' 20' ' ' LYS . 1.2 p -141.62 75.53 21.86 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.5 Cg_endo -74.95 123.69 8.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 18' ' ' SER . 9.4 tt0 -118.6 130.13 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CH2' ' HB2' ' A' ' 56' ' ' PRO . 12.4 m-90 -109.04 -50.24 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 61.95 40.75 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -98.08 -173.75 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m -147.81 126.93 12.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -125.31 134.19 52.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.1 mm -106.77 155.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 19.6 m-85 -147.71 -178.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -122.64 100.03 6.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 t -82.4 152.9 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 p -145.75 -86.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -142.5 154.38 44.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.19 -55.3 2.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.8 m -66.32 95.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 p -123.87 27.68 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -164.71 155.92 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.493 ' CD2' HG13 ' A' ' 14' ' ' VAL . 6.8 tp -117.46 145.23 44.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -106.63 122.92 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -117.96 104.92 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 18.1 mttp -107.2 127.61 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.489 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -86.74 137.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 96.3 m-85 -143.71 140.1 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -65.52 167.86 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -73.63 -4.36 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.18 57.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 86' ' ' ASP . 7.6 p -161.61 166.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -119.23 137.47 12.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.502 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 62.9 p -33.62 -37.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' GLY . 43.6 mt-10 -104.47 65.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 8.1 t0 -147.88 -68.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.25 123.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.611 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -102.79 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -41.39 -29.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -176.85 175.52 47.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -149.0 166.16 29.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.37 142.84 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.5 m -97.81 116.62 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.6 mt -110.38 97.81 33.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.07 19.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.578 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.8 mt -97.39 4.32 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -62.03 -40.68 70.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -75.0 -23.51 13.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -90.6 -2.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.1 m-30 -100.47 -33.78 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.5 m -90.65 -29.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.87 -43.12 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.55 -12.18 66.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -165.19 131.48 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.447 HG12 ' CG2' ' A' ' 99' ' ' VAL . 42.3 mm -125.43 138.73 32.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 m -116.81 151.54 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.57 ' HB3' ' CD1' ' A' ' 123' ' ' TRP . . . -86.57 110.97 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.579 ' CD2' HG12 ' A' ' 94' ' ' ILE . 74.8 m-85 -88.09 126.73 35.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.2 OUTLIER -39.92 123.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 15.1 t -104.88 98.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.404 HG11 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -105.44 166.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.1 OUTLIER -141.99 90.63 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.562 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 3.4 t70 84.34 -22.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.12 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' C ' HG11 ' A' ' 113' ' ' VAL . 1.4 mt-10 -86.29 135.69 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 22' ' ' LEU . 33.3 t80 -77.19 110.96 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' VAL . 10.9 mmpt? -86.5 -23.04 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.552 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 153.29 -123.7 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -156.27 159.35 38.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 19.4 tt -127.07 125.07 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 34.8 m95 -88.6 123.58 33.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 123' ' ' TRP . 48.8 t -155.4 132.63 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -100.21 145.41 28.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.476 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 16.2 mt -121.37 142.99 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 m -148.26 100.01 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.461 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 34.5 t80 -79.66 155.83 27.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -142.26 91.33 7.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.9 t -80.03 84.85 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -112.78 -146.32 9.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 68.4 m -134.72 90.05 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.4 162.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.64 -59.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.58 126.98 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.16 -170.7 26.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -129.19 138.95 52.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -136.02 162.95 31.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.59 166.97 17.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.87 128.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.16 -138.76 5.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.9 m -109.71 153.81 23.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 96' ' ' LEU . 1.2 tp -127.06 145.64 50.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -116.68 128.45 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG22 ' CD2' ' A' ' 64' ' ' PHE . 85.9 t -118.87 107.36 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.0 t -99.75 90.88 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.1 tp -72.49 85.22 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 67.2 t -62.52 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 30.8 t -155.06 -169.4 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.458 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . -155.66 139.7 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -123.2 144.27 49.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.4 -149.59 21.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -113.22 -179.71 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -11.71 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.65 42.07 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.58 115.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.7 t0 -77.49 104.05 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 28' ' ' LEU . 21.1 t80 -141.3 119.72 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 27' ' ' PHE . 50.0 mt 71.36 35.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' MET . 4.0 t-20 -59.02 -151.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -68.32 68.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.491 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -137.71 -173.77 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.556 ' CA ' ' O ' ' A' ' 48' ' ' VAL . 18.4 m-20 -121.08 71.95 23.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.533 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.94 172.97 15.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 19.4 p90 -162.45 139.76 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG21 ' CH2' ' A' ' 58' ' ' TRP . 55.6 t -89.88 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.463 ' CB ' ' HG2' ' A' ' 45' ' ' LYS . 35.5 tt0 -128.6 98.4 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -68.57 157.09 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 37' ' ' LEU . 1.6 m -153.38 134.36 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -142.04 91.13 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.26 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.26 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 p -122.75 42.39 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 39' ' ' CYS . 3.7 pt20 -153.45 121.79 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.7 149.66 50.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -144.62 122.14 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 27.0 mtmm -104.93 155.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.475 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.08 -175.26 2.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 46' ' ' SER . 9.5 m-20 -48.0 177.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.631 ' O ' ' C ' ' A' ' 49' ' ' ALA . 27.8 m -102.98 39.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 20.08 73.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 51' ' ' GLY . 20.3 mt-10 -61.32 111.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 34.25 97.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.421 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -116.22 -34.38 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 55' ' ' THR . . . 102.51 76.78 1.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.516 ' O ' ' CG2' ' A' ' 55' ' ' THR . 16.7 p 40.75 27.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 54' ' ' THR . 36.9 p -157.22 73.61 4.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.584 ' O ' ' CZ3' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.05 105.33 2.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 5.2 tt0 -102.16 140.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.584 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 24.0 m-90 -121.22 -51.51 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 62.04 33.32 17.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -172.97 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -147.0 120.82 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CD2' HD23 ' A' ' 37' ' ' LEU . 45.7 m-85 -124.48 116.25 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 15.4 mm -83.28 146.21 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.438 ' CD2' HG22 ' A' ' 14' ' ' VAL . 49.7 m-85 -137.07 126.2 24.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -67.34 120.07 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 98.7 t -104.84 140.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -153.86 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.47 143.93 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.05 -41.17 3.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.409 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 6.8 m -69.23 88.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -115.36 -15.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -145.31 159.83 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 94' ' ' ILE . 16.2 tp -115.08 145.18 42.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -111.06 125.49 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.75 106.87 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 7.6 mttp -105.94 126.45 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.55 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -84.47 142.02 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 84' ' ' THR . 87.9 m-85 -141.84 -170.83 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.96 140.95 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 22.1 tttt -42.3 -38.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.7 71.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 83' ' ' GLY . 6.1 t -153.79 -83.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.497 ' N ' HG13 ' A' ' 82' ' ' VAL . . . 123.59 130.56 3.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.594 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 21.0 p -46.72 -27.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ASP . 2.1 mt-10 -90.89 -48.79 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' GLU . 4.2 t0 -34.43 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' HG12 ' A' ' 82' ' ' VAL . 34.4 t70 -174.45 156.16 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 78' ' ' PHE . . . -110.47 117.6 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.55 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 1.1 m -48.72 -25.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.94 47.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -155.95 167.04 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.423 ' CB ' HG21 ' A' ' 122' ' ' ILE . . . -153.28 143.98 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.3 m -104.13 113.51 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.555 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.4 mt -108.55 101.17 41.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.94 24.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.605 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 11.5 mt -99.19 10.71 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.715 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -68.83 -38.17 11.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -74.95 -25.4 12.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 100' ' ' PHE . 1.4 p -86.35 -5.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -96.02 -30.83 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.12 -32.54 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.14 -38.57 17.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.13 -7.11 81.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -175.14 123.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 37.4 mm -112.55 137.27 21.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.29 2.68 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.72 150.55 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.494 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -82.02 101.8 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CD2' HG12 ' A' ' 94' ' ' ILE . 73.6 m-85 -78.45 138.38 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.87 126.48 16.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.7 t -112.58 112.41 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.86 169.86 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 34.9 tptt -141.58 88.99 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 1.9 t70 86.7 -22.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.26 -20.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -88.1 138.04 31.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.241 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.426 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 67.9 t80 -76.89 118.01 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.94 -54.14 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . -171.66 -126.37 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.38 151.14 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.423 HG21 ' CB ' ' A' ' 92' ' ' ALA . 3.3 tt -121.28 126.21 74.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.494 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 40.0 m95 -89.19 121.93 31.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.4 t -152.48 140.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.71 139.17 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.555 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 6.2 mt -115.16 134.3 55.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -136.76 107.41 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -86.95 147.98 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -137.77 91.3 13.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 144.38 30.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.6 t -68.25 87.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.969 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.48 -145.58 0.3 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.81 2.34 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.0 p -39.82 156.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.64 -53.32 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 143.59 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.71 154.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.49 -147.51 22.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -166.05 88.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.37 163.97 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.35 -161.23 31.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -171.69 136.42 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.561 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.05 -145.9 12.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 30.5 m -114.27 148.62 37.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -115.6 145.91 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.483 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -122.99 121.81 37.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.534 ' CG2' ' CD1' ' A' ' 12' ' ' LEU . 86.8 t -111.31 111.17 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' ' OE1' ' A' ' 13' ' ' GLU . 56.3 t -100.79 88.31 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 tp -69.87 92.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.403 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 38.3 t -68.45 -89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 57' ' ' GLU . 40.5 p -157.6 -177.73 6.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.34 148.37 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.0 mttm -130.16 152.74 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.37 172.41 19.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 2.9 mm? -70.36 -168.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -39.04 20.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -111.08 60.48 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.5 118.42 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' CG ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.51 -49.95 67.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CD1' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 52.45 -127.64 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD12 ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -66.2 -3.27 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.499 ' C ' ' O ' ' A' ' 28' ' ' LEU . 4.8 t-20 -32.84 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.05 72.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 28' ' ' LEU . 7.8 mtp -147.56 178.78 8.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.552 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 11.5 m-20 -135.4 57.55 20.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 18.1 Cg_endo -75.03 166.95 28.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.5 p90 -149.12 134.27 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -87.87 145.34 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -125.16 94.31 4.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -63.89 131.07 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.7 m -128.59 138.78 52.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' THR . 42.1 t -142.69 115.18 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 55.92 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 47.9 p -136.79 37.89 2.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 2.8 pt20 -139.28 113.89 9.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -111.27 154.01 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -152.71 121.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 5.1 mtmt -90.11 156.93 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -111.01 161.95 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -48.34 156.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 6.0 t -81.14 128.8 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.37 76.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -68.98 121.83 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.83 77.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.2 mmt -115.45 -31.76 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 -144.22 16.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 29' ' ' ASN . 9.1 p -85.61 9.1 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.422 HG22 ' CG ' ' A' ' 20' ' ' LYS . 16.7 p -140.99 81.53 16.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.548 ' O ' ' CZ3' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.03 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.49 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 5.5 tt0 -94.31 150.26 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 22.2 m-90 -126.33 -51.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.49 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 25.2 m-20 61.35 38.52 16.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.39 -173.86 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 m -151.7 121.78 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.585 ' CD1' HD21 ' A' ' 37' ' ' LEU . 34.4 m-85 -118.52 143.39 46.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.5 mm -114.66 147.82 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.489 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 34.7 m-85 -140.74 164.36 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 109.27 21.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.2 145.07 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -145.85 -67.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' NH1' ' A' ' 40' ' ' ARG . 8.4 pt-20 -161.89 151.12 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.78 -54.66 4.36 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -69.93 107.12 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.44 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 p -127.58 17.92 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.24 158.13 18.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.494 ' CD2' HG12 ' A' ' 14' ' ' VAL . 5.9 tp -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -103.03 123.4 46.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.8 110.78 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 27.2 mttp -114.75 137.61 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.524 ' CG2' HG11 ' A' ' 89' ' ' VAL . 4.8 mp -101.75 134.28 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 89.9 m-85 -137.4 146.41 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 82' ' ' VAL . 41.7 t0 -76.74 135.67 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -46.67 -24.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -78.35 -40.0 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 79' ' ' ASP . 1.2 m -84.6 -176.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -130.83 151.58 19.64 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 24.4 p -38.23 -32.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.1 pt-20 -118.64 84.42 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.92 -71.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -158.89 86.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.6 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -51.0 151.13 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.524 HG11 ' CG2' ' A' ' 77' ' ' ILE . 0.3 OUTLIER -100.63 -10.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.426 ' HA2' ' HB2' ' A' ' 114' ' ' LYS . . . 169.02 156.81 10.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -147.32 161.37 41.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' N ' ' OE2' ' A' ' 91' ' ' GLU . . . -153.51 145.16 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 m -98.61 116.23 30.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.7 mt -109.49 99.61 37.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.29 18.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 8.9 mt -97.16 7.84 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.684 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -64.73 -39.6 40.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.03 -26.03 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -86.56 -1.75 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.8 m-30 -101.75 -30.76 11.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 m -95.21 -29.34 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.98 -46.92 8.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.35 -13.86 56.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -169.58 124.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 36.5 mm -114.29 139.08 23.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 168.89 23.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 101.91 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -113.92 150.94 32.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . . . -82.61 102.36 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.468 ' CD2' HG12 ' A' ' 94' ' ' ILE . 74.6 m-85 -79.81 134.16 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -48.32 124.05 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.46 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 51.9 t -109.76 115.02 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -117.76 168.25 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 8.1 tppt? -147.96 89.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 8.7 t0 89.16 -25.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.51 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -83.94 136.1 34.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.463 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 81.7 t80 -77.72 97.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.471 ' CE ' ' HB3' ' A' ' 114' ' ' LYS . 6.1 mmtt -61.35 -45.23 95.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.463 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 169.78 -126.78 1.4 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 109' ' ' ALA . 9.4 pt-20 -145.73 143.19 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.46 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 4.8 tt -114.28 123.12 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' SER . 45.2 m95 -85.77 122.84 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.406 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 26.0 t -153.12 139.27 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -109.07 139.57 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.479 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 12.3 mt -114.61 133.86 55.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.74 108.83 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.425 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 32.4 t80 -90.74 154.98 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -139.71 90.98 10.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 142.2 27.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -95.86 58.29 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.55 -158.93 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.97 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.2 m 61.08 117.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.6 p -68.31 152.71 45.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 65.78 79.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.57 165.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.14 -73.84 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -129.85 -59.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 p -178.01 119.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.13 -163.4 41.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -172.8 134.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.4 -146.05 12.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.588 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 24.2 m -114.54 148.93 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -116.26 144.51 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.505 ' OE1' ' CG2' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -121.79 122.45 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 12' ' ' LEU . 57.9 t -112.17 112.57 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.505 ' CG2' ' OE1' ' A' ' 13' ' ' GLU . 47.5 t -102.07 87.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD12 ' CG2' ' A' ' 35' ' ' VAL . 17.7 tp -69.95 91.96 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 72.1 t -70.68 -92.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.409 ' HB3' ' HG3' ' A' ' 57' ' ' GLU . 5.6 p -148.66 -173.99 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 56' ' ' PRO . . . -145.24 145.91 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 55' ' ' THR . 6.5 mttt -133.49 144.19 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.29 -172.19 43.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 119' ' ' LYS . 2.4 mm? -69.35 -169.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -69.22 -47.79 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 5.7 t70 -126.02 57.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -127.76 107.93 10.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.53 78.32 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.631 ' CE2' ' CD1' ' A' ' 28' ' ' LEU . 18.4 t80 -120.08 112.1 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.631 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 7.4 mt 78.51 56.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -138.76 135.38 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 70.67 26.46 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 ptm -151.84 -175.35 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.593 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 18.4 m-20 -135.03 73.07 66.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -75.03 156.04 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.679 ' CD2' ' CD ' ' A' ' 45' ' ' LYS . 30.5 p90 -136.74 145.64 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.508 ' CG2' HD12 ' A' ' 16' ' ' LEU . 38.1 t -91.21 142.43 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -126.96 106.78 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -80.83 144.38 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -133.87 141.24 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -142.49 87.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.601 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.0 OUTLIER 31.88 97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.601 ' OG1' ' O ' ' A' ' 40' ' ' ARG . 1.4 p 75.09 -22.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' A' ' 40' ' ' ARG . 34.6 mt-30 -91.21 139.23 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.07 128.75 15.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.582 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 48.6 mt-30 -139.81 120.38 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.679 ' CD ' ' CD2' ' A' ' 34' ' ' TYR . 6.4 ttpp -120.08 156.87 30.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -110.84 166.48 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -49.51 178.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 2.4 m -90.13 140.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -74.93 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 1.8 mm-40 -91.09 141.27 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.72 57.66 3.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 9.7 mmt -116.35 -32.85 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.45 -148.7 19.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -81.42 6.86 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.49 ' CG2' ' HG2' ' A' ' 20' ' ' LYS . 27.4 p -135.94 80.6 41.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.01 135.48 19.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 11.8 tt0 -118.07 173.18 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.557 ' C ' ' OD1' ' A' ' 59' ' ' ASN . 22.6 m-90 -156.48 -38.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.576 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 47.25 33.25 2.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -90.52 166.18 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -135.05 122.21 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.6 m-85 -116.4 147.44 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -118.27 142.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 37.0 m-85 -132.28 -172.31 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -128.53 123.89 34.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.63 147.85 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.3 p -157.53 -72.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -145.73 138.43 25.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.41 -54.13 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.7 m -60.79 100.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 p -131.74 6.96 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.6 153.13 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.485 HD12 ' CE2' ' A' ' 64' ' ' PHE . 5.7 tp -112.21 143.08 43.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -104.94 129.51 53.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 106.18 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 29.6 mttp -110.01 123.17 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 89' ' ' VAL . 5.1 mp -85.07 139.45 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.708 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 98.5 m-85 -143.68 144.08 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -76.18 136.29 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 32' ' ' ASP . 4.7 ptmt -41.44 -34.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 2.1 t0 -90.27 45.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 85.6 t -157.52 152.43 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -102.16 138.41 13.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 10.2 p -36.9 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' GLY . 39.3 mt-10 -109.66 61.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.6 t0 -141.73 -72.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.08 118.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -91.35 115.32 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -43.78 -27.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.84 173.77 46.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -148.75 166.89 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.419 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -153.97 140.56 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -96.46 115.98 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.523 ' CG2' ' CD1' ' A' ' 126' ' ' LEU . 3.5 mt -109.29 99.67 37.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.621 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 11.6 mt -97.31 7.63 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.686 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.1 tt0 -65.1 -39.5 37.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' A' ' 100' ' ' PHE . 1.3 p -79.66 -8.63 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 16.5 m-30 -96.05 -30.08 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.2 m -93.36 -33.44 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.57 -33.63 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.91 -8.4 76.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.1 p -175.96 131.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 3.9 mm -125.62 140.13 35.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 173.27 14.79 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 102.83 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -115.01 151.7 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . . . -82.26 110.2 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.473 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.5 m-85 -87.2 136.69 32.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.12 120.24 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.415 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 27.5 t -107.59 110.36 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.04 169.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 5.6 tptp -143.55 89.18 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.2 t70 86.61 -22.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.13 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -88.42 138.33 31.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.565 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 53.0 t80 -77.27 113.07 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 5.3 mmpt? -83.58 -30.65 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.565 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 161.06 -137.62 5.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 109' ' ' ALA . 5.1 pt-20 -138.95 148.56 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 110' ' ' TYR . 7.9 tt -118.77 123.7 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.408 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 42.7 m95 -86.34 123.32 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.408 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 30.1 t -153.33 134.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.432 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . . . -101.7 143.4 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.523 ' CD1' ' CG2' ' A' ' 94' ' ' ILE . 51.5 mt -120.2 135.56 54.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.72 103.47 4.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -86.37 153.4 21.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -138.69 90.4 12.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.13 38.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t -84.92 83.21 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -152.44 -148.96 4.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.85 3.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.568 1.825 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.99 122.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -65.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.29 157.77 42.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -141.37 170.43 15.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.01 139.06 2.67 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.91 161.93 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -159.71 171.26 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.96 -165.11 33.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.03 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -168.39 141.1 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.05 -164.04 28.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.407 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -102.32 155.76 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.368 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -114.19 139.78 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -126.31 109.46 12.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 12' ' ' LEU . 30.1 t -98.28 141.23 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.84 92.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ASN . 53.1 tp -67.25 94.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 107' ' ' PRO . 93.7 t -74.33 -86.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.451 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 2.0 p -144.51 -178.06 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.4 118.27 6.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -97.64 144.01 27.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.82 -153.5 24.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 118' ' ' TYR . 95.7 mt -119.53 -173.96 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -17.4 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 12.0 t70 -124.76 50.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . . . -166.18 99.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -54.2 90.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CE1' HD23 ' A' ' 28' ' ' LEU . 21.8 t80 -143.73 121.58 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 27' ' ' PHE . 14.3 mt 64.26 53.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' C ' ' HG2' ' A' ' 31' ' ' MET . 29.2 t-20 -124.89 119.62 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 44.06 66.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.529 ' CE ' ' OD1' ' A' ' 79' ' ' ASP . 10.4 ptm -162.3 -174.62 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.5 m-20 -127.65 71.16 77.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.92 22.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 42.8 p90 -130.7 138.36 49.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.3 t -91.3 151.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 35.4 tt0 -131.32 99.28 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.708 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -65.91 135.43 54.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -128.04 135.89 50.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 49.0 t -141.06 97.52 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.39 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' CYS . 11.6 p -134.92 9.29 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -100.43 114.39 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 132.46 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -147.48 123.14 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 12.5 mtpt -94.97 163.22 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -112.34 168.21 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.11 151.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 5.0 t -81.46 115.45 24.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 84.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 51' ' ' GLY . 29.8 mt-10 -73.37 122.38 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.18 75.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.8 mmt -115.1 -32.05 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.04 -143.3 15.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.7 p -99.13 18.08 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -150.02 65.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.85 30.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 51.8 mp0 -119.66 140.7 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CE3' ' HG ' ' A' ' 16' ' ' LEU . 24.2 m-90 -120.95 -43.62 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 51.31 27.38 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -85.31 174.28 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.0 m -137.85 134.37 35.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.708 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 67.5 m-85 -133.56 130.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.2 mm -101.66 146.58 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 39' ' ' CYS . 65.1 m-85 -148.39 122.23 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -63.29 137.75 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.2 t -121.85 158.83 25.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -161.17 -55.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -169.55 157.31 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.4 -53.25 4.45 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -77.72 110.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.2 p -137.57 10.37 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -154.4 137.09 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 94' ' ' ILE . 7.3 tp -95.23 143.01 26.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 118.98 37.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.37 100.29 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.0 mttp -99.66 120.39 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.537 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -88.25 134.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.708 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 97.6 m-85 -133.61 -153.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.529 ' OD1' ' CE ' ' A' ' 31' ' ' MET . 4.1 m-20 -150.1 129.81 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -46.31 -23.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 76.3 m-20 -78.05 -43.36 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.538 ' CG2' ' N ' ' A' ' 83' ' ' GLY . 3.8 m -79.19 -142.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.538 ' N ' ' CG2' ' A' ' 82' ' ' VAL . . . -165.02 153.62 23.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 61.4 p -39.03 -65.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 86' ' ' ASP . 12.5 pt-20 -66.89 -53.77 28.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' A' ' 85' ' ' GLU . 2.5 m-20 -24.32 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -172.45 139.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -103.78 128.66 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 1.1 m -51.74 -22.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.24 -177.46 44.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -152.7 170.11 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 122' ' ' ILE . . . -150.78 154.78 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.5 m -110.77 111.73 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' LEU . 3.6 mt -108.79 100.27 38.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.89 18.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.633 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -97.56 15.18 24.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.791 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 0.8 OUTLIER -74.23 -32.92 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 -25.53 11.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.515 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.5 -25.83 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 8.0 m-30 -66.49 -32.98 74.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.525 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.3 m -94.99 -51.31 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.525 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.5 mm-40 -66.4 -43.89 84.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.77 -11.38 66.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 p -167.22 129.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.515 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.5 mm -129.22 140.28 38.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 109.1 2.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.545 1.813 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.06 143.88 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 123' ' ' TRP . . . -70.92 100.98 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.522 ' CD2' HG12 ' A' ' 94' ' ' ILE . 51.4 m-85 -85.88 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.42 128.65 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.23 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -109.48 166.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.96 96.09 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 21.6 t0 85.21 -27.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 157.69 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 2.6 mm-40 -87.36 152.55 22.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.43 ' CD2' HD12 ' A' ' 22' ' ' LEU . 81.8 t80 -90.06 119.24 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -90.84 -46.59 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -178.53 -135.8 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -141.15 156.71 45.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.469 HG22 ' CB ' ' A' ' 92' ' ' ALA . 14.6 tt -128.19 121.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.503 ' CE2' ' HB1' ' A' ' 109' ' ' ALA . 35.3 m95 -85.9 116.59 24.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.03 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.9 t -142.35 143.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.401 ' HB3' ' CA ' ' A' ' 107' ' ' PRO . . . -124.82 136.31 53.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.507 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 1.7 mt -109.69 159.32 17.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.98 73.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 46.1 t80 -50.31 149.56 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.72 92.17 27.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 p -70.11 87.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -130.44 -144.0 5.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.5 p -159.95 166.35 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -60.01 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.49 174.82 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m 56.79 162.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.04 134.02 3.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.27 94.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 110.09 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -178.17 158.43 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.85 -162.99 33.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.5 OUTLIER 175.21 150.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' CD2' ' A' ' 9' ' ' HIS . . . 146.2 -153.19 25.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.43 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.5 m -100.9 156.25 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 96' ' ' LEU . 3.1 tp -127.8 136.84 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -113.76 107.47 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 37' ' ' LEU . 79.9 t -96.71 117.0 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.43 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 56.7 tp -69.21 86.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 107' ' ' PRO . 68.0 t -60.83 -90.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 17' ' ' VAL . 80.5 p -156.17 -176.41 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.37 157.68 43.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' CB ' HG23 ' A' ' 55' ' ' THR . 1.0 OUTLIER -150.85 148.63 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.47 -169.13 35.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 22' ' ' LEU . 1.6 mm? -83.85 -164.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.4 pt-20 -72.82 -52.5 14.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 40.2 t0 -111.47 61.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.39 106.17 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.72 62.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CD1' HD13 ' A' ' 28' ' ' LEU . 28.5 t80 -121.63 128.78 52.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER 65.83 18.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -59.96 -146.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.43 74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' ASN . 8.9 ptm -154.92 -178.23 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.9 m-20 -131.35 67.33 80.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.4 Cg_endo -74.98 154.96 42.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 38.2 p90 -133.08 147.42 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 34.5 t -92.3 147.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 31.2 tt0 -127.57 96.42 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.704 ' CD1' ' CD2' ' A' ' 62' ' ' PHE . 15.8 mt -63.15 154.05 32.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 42' ' ' GLN . 2.4 m -155.69 123.18 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -142.57 85.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 108.319 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.0 OUTLIER 55.86 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.1 t 33.42 40.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' O ' ' CG2' ' A' ' 38' ' ' THR . 11.6 mt-30 -135.74 144.76 46.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 2.0 p30 -149.53 126.34 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' LEU . 74.1 mt-30 -143.03 122.07 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 15.4 mtmm -104.11 158.14 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.35 169.24 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -48.61 147.55 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 24.0 t -71.65 122.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -63.73 78.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' VAL . 28.2 mt-10 -73.81 121.67 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.7 69.05 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.55 -32.33 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 104.52 -169.33 17.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 0.735 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.417 HG23 ' CB ' ' A' ' 20' ' ' LYS . 3.0 p -127.99 72.72 79.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.3 12.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.75 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 3.4 tt0 -111.07 139.49 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.77 -42.76 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 32.7 m-20 47.1 32.69 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -171.85 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -149.95 127.47 11.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.704 ' CD2' ' CD1' ' A' ' 37' ' ' LEU . 80.6 m-85 -130.95 129.16 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.502 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.5 mm -98.36 140.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -135.46 124.79 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -67.07 119.53 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.5 t -106.7 147.25 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -178.47 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -168.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' CG2' ' A' ' 71' ' ' THR . . . -58.71 -15.63 27.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 m -38.99 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 69' ' ' GLY . 11.9 p -125.86 27.1 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.35 153.66 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' CD2' HD21 ' A' ' 37' ' ' LEU . 27.7 tp -114.16 146.59 40.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 113.1 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.01 105.96 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 14.6 mttp -108.51 136.63 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.518 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.2 mp -104.11 133.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.585 ' CD1' ' HA ' ' A' ' 88' ' ' ALA . 77.4 m-85 -132.69 -171.53 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' VAL . 5.4 t70 -116.17 132.08 56.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.27 -36.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.496 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 t0 -92.24 45.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 68.9 t -157.68 153.26 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -99.5 135.99 12.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 15.8 p -38.07 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.392 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 55.1 mt-10 -106.82 56.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 20.8 t0 -136.8 -67.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -174.41 114.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.585 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -85.43 135.68 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.518 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 2.0 m -60.47 -38.92 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' HA2' ' CE ' ' A' ' 114' ' ' LYS . . . -163.73 169.25 38.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.86 161.0 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.256 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -150.38 155.24 39.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 m -112.29 111.65 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 110' ' ' TYR . 2.6 mp -105.99 104.06 47.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 137.48 21.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 4.8 mt -96.81 14.91 23.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.797 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -73.38 -32.56 1.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -27.43 10.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG12 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.48 -25.21 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.64 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 6.3 m-30 -67.51 -22.69 65.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.8 m -106.77 -45.44 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.9 mm-40 -75.78 -36.3 59.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 86.33 -9.35 70.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.2 p -164.86 126.45 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.529 ' CG1' HG12 ' A' ' 99' ' ' VAL . 3.7 mm -130.17 140.95 40.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.451 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.04 112.36 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.76 144.5 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.16 96.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 94' ' ' ILE . 50.2 m-85 -79.01 138.99 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.33 121.8 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 25.3 t -108.71 111.75 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.28 173.48 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 14.7 tppt? -154.03 91.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.606 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.6 t0 90.4 -27.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER 157.33 -21.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.78 151.01 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -86.64 106.98 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -74.7 -43.12 56.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.96 -141.75 6.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -131.98 153.01 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.434 ' HB ' ' CG2' ' A' ' 112' ' ' VAL . 7.7 tt -129.19 124.64 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.427 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 34.9 m95 -86.26 126.44 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 6.2 t -151.81 132.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.91 133.7 55.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.489 HD12 ' CG2' ' A' ' 99' ' ' VAL . 5.5 mt -107.3 152.95 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -142.39 63.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 65.6 t80 -55.72 138.02 48.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -126.49 96.4 36.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.2 Cg_endo -75.06 143.25 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 63.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . 57.55 157.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 156.59 43.07 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.38 77.74 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -121.6 -59.46 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.9 138.4 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -165.49 138.73 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 -67.6 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.9 p 50.08 86.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t 58.16 159.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.97 171.79 26.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.97 -166.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -173.34 128.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.74 -156.52 27.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 3.4 m -105.74 153.51 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -114.03 144.59 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.513 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.7 tt0 -126.82 107.19 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG22 ' CD1' ' A' ' 12' ' ' LEU . 20.5 t -97.33 123.77 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.86 89.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ASN . 30.0 tp -65.96 92.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 107' ' ' PRO . 25.0 t -67.76 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.434 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 91.3 p -152.12 -173.23 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 148.06 28.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.41 152.72 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.74 -175.53 23.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 25' ' ' ALA . 3.0 mm? -73.03 -165.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -41.03 13.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -128.99 58.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -133.08 112.2 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.11 85.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CD1' HD12 ' A' ' 28' ' ' LEU . 23.3 t80 -150.6 126.34 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.8 mp 67.58 19.95 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' MET . 3.0 t-20 -59.58 -146.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -61.13 82.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' ASN . 3.4 ptm -162.73 177.96 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 41.7 m-20 -130.22 69.12 81.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.4 Cg_endo -75.0 150.68 38.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 27.6 p90 -126.17 150.71 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' CG1' ' HB1' ' A' ' 75' ' ' ALA . 60.7 t -90.64 146.61 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 30.9 tt0 -122.81 95.93 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.724 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -70.85 131.1 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.3 m -134.06 135.09 43.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -142.43 107.25 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.308 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.54 -84.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.52 13.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' CYS . 3.1 pt20 -108.12 117.2 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 3.1 p-10 -103.47 151.52 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 37' ' ' LEU . 70.5 mt-30 -158.33 123.05 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' CD ' ' CE1' ' A' ' 34' ' ' TYR . 22.2 mtmt -104.73 160.79 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.72 170.51 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -48.58 156.41 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.6 t -81.91 123.11 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -62.68 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' VAL . 22.7 mt-10 -74.42 129.52 37.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.53 72.59 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mmt -116.76 -31.18 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 94.44 -146.38 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -84.63 15.15 3.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.415 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -144.02 78.76 13.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 141.35 26.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 41.8 mp0 -120.91 172.47 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 23.4 m-90 -158.17 -46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 47.44 28.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.79 -178.24 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -143.59 127.23 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.724 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 87.8 m-85 -126.67 135.02 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.5 mm -105.16 145.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -146.57 126.15 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -61.93 139.09 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.58 137.0 58.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -140.59 -60.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.045 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -165.34 151.7 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.1 -58.12 4.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -66.14 108.62 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 p -135.96 19.9 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -164.74 145.88 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD22 ' CG2' ' A' ' 14' ' ' VAL . 6.4 tp -108.36 141.59 39.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -103.78 118.17 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -114.47 104.84 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.612 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 37.0 mttp -102.95 124.09 47.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.487 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -84.65 131.22 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.685 ' CE1' ' CB ' ' A' ' 88' ' ' ALA . 81.2 m-85 -137.51 150.99 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.486 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -73.14 159.58 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.71 -7.54 34.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -124.02 60.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 86' ' ' ASP . 7.3 p -161.83 168.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -117.67 137.28 13.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLY . 19.7 p -36.31 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' GLY . 51.9 mt-10 -107.76 65.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 60.7 t0 -147.85 -68.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.95 120.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.685 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . . . -95.65 116.98 29.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.487 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -39.38 -30.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.07 172.14 45.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -147.53 164.3 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.452 ' CB ' HG23 ' A' ' 122' ' ' ILE . . . -149.26 155.75 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 26.3 m -108.63 114.5 28.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.56 HG12 ' CD2' ' A' ' 110' ' ' TYR . 2.9 mt -108.73 100.26 38.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.03 133.82 17.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.658 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 1.3 mt -98.7 13.63 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.815 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -76.31 -31.17 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.03 -27.58 9.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -84.98 -40.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 128' ' ' PHE . 14.8 m-30 -60.61 -22.95 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.2 t -92.41 -59.2 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.67 -53.5 27.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.8 -16.76 13.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -165.37 117.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.508 ' CG1' HG11 ' A' ' 99' ' ' VAL . 5.0 mm -114.76 140.85 25.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.07 173.76 13.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.0 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.56 143.45 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . . . -74.6 95.51 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CD2' HG12 ' A' ' 94' ' ' ILE . 56.5 m-85 -76.52 133.39 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -47.4 118.71 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 119' ' ' LYS . 22.5 t -106.37 111.9 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.83 169.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 36.7 tptt -142.22 88.93 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 8.7 t0 86.78 -22.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.43 -20.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.71 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 52.4 t80 -74.72 113.03 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 112' ' ' VAL . 7.8 mmpt? -84.84 -32.74 23.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 164.07 -131.66 2.5 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 121' ' ' GLU . 2.0 pm0 -148.73 152.79 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.452 HG23 ' CB ' ' A' ' 92' ' ' ALA . 4.7 tt -121.79 130.72 74.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -92.45 114.89 27.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.022 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.2 t -143.47 130.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -111.47 133.98 53.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.516 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.7 mt -106.1 155.6 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.17 79.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 32.9 t80 -55.95 156.32 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -139.99 90.57 10.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.2 Cg_endo -74.96 130.97 13.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t -57.13 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . -74.64 -149.72 1.95 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.11 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.06 171.41 9.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.0 t -178.74 109.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.13 160.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t 65.91 101.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.27 -116.59 0.77 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 176.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m 62.31 169.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.22 -162.75 31.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -165.4 136.34 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.93 -125.51 1.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.505 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 96.8 m -136.05 144.32 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -107.74 143.08 36.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.504 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 2.6 tt0 -125.8 110.24 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 73' ' ' LEU . 36.3 t -102.45 118.2 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.87 91.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 11.7 tp -71.89 93.43 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.9 t -72.35 -81.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -151.11 -157.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' HD2' ' A' ' 56' ' ' PRO . . . -158.01 124.29 4.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 121' ' ' GLU . 1.4 mtpt -95.91 156.92 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.49 -140.43 7.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.665 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -163.13 -163.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.43 -26.63 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.509 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t0 -99.87 45.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HB3' ' CG ' ' A' ' 22' ' ' LEU . . . 178.38 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.18 103.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CD1' HD12 ' A' ' 28' ' ' LEU . 33.0 t80 -150.77 133.54 15.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 61.36 78.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.2 122.78 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 t30 49.83 62.07 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.3 ptm -166.07 175.08 8.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 49.0 m-20 -128.48 69.09 78.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.5 Cg_endo -74.94 165.22 31.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 36.9 p90 -147.85 146.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 77.6 t -91.25 136.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 45' ' ' LYS . 2.2 tt0 -125.2 101.92 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.676 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -70.01 139.1 52.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -133.5 128.29 35.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.9 90.24 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 62.79 -90.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -112.78 -2.27 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -94.71 122.48 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -126.75 133.75 50.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 54.6 mt-30 -155.83 122.69 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -124.45 168.84 12.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.55 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -55.29 179.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 2.8 m -91.86 140.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -75.67 86.66 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 18.1 mt-10 -65.58 120.73 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.78 76.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.439 ' HG3' ' CB ' ' A' ' 49' ' ' ALA . 10.4 mmt -116.22 -32.51 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.37 -144.6 16.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 6.7 p -93.08 23.27 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 1.1 p -153.42 69.03 6.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.468 ' CG ' HD21 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 126.21 9.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.15 146.58 36.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -128.38 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 61.56 41.76 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.79 178.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -142.72 124.03 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.676 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 82.5 m-85 -124.13 133.08 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.505 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 3.8 mm -104.53 145.53 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -143.29 122.76 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -61.72 126.38 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -110.12 147.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -161.7 -67.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -147.26 144.12 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.83 -52.13 4.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.502 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 4.5 m -57.81 100.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -136.59 15.18 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -173.44 146.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 14' ' ' VAL . 10.3 tp -107.11 143.51 35.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -104.91 119.87 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.51 104.19 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mttp -103.04 137.63 40.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.533 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -107.27 140.21 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 70.4 m-85 -141.07 -166.62 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 3.0 t70 -119.03 138.12 53.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 5.3 ptmt -40.99 -42.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 14.8 t0 -88.42 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 97.6 t -157.09 150.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -101.34 138.22 13.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' GLY . 12.8 p -36.62 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' GLY . 2.2 pt-20 -107.07 60.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 64.6 t0 -142.77 -68.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -165.84 113.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.576 ' CB ' ' CE2' ' A' ' 78' ' ' PHE . . . -91.12 111.74 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.533 ' CG2' ' CG2' ' A' ' 77' ' ' ILE . 1.1 m -39.57 -29.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.91 -175.12 45.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -160.01 166.41 30.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.26 148.36 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.4 m -103.8 114.45 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 110' ' ' TYR . 3.3 mt -108.58 100.44 38.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.58 20.54 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.559 1.82 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.624 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 5.0 mt -99.16 11.91 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.737 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -72.32 -36.19 3.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.58 7.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.511 HG11 ' N ' ' A' ' 100' ' ' PHE . 2.0 p -79.09 -29.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 17.8 m-30 -76.94 -20.26 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 t -95.77 -43.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.77 -34.15 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 92.46 -13.0 68.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.5 p -159.89 137.88 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.05 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 126' ' ' LEU . 22.2 mm -137.17 131.32 17.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.22 13.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -110.54 152.96 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.506 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -83.36 100.53 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 57.6 m-85 -82.52 132.74 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -52.62 122.12 8.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.42 ' CG2' ' HB ' ' A' ' 122' ' ' ILE . 44.8 t -106.04 116.26 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.54 170.85 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.709 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 21.8 tptt -139.51 89.98 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.709 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 11.2 m-20 80.99 -19.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.554 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.63 -21.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 114' ' ' LYS . 5.3 mt-10 -88.69 138.96 30.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.571 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 46.7 t80 -80.0 117.69 21.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.15 -34.48 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.571 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 168.59 -134.9 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' LYS . 12.5 pt-20 -142.67 152.61 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 110' ' ' TYR . 16.0 tt -123.96 137.05 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.6 m95 -102.79 124.11 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 123' ' ' TRP . 42.1 t -153.52 134.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -104.38 146.86 28.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.48 HD11 ' CG2' ' A' ' 94' ' ' ILE . 3.3 mt -124.46 136.34 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.4 m -143.08 98.37 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' A' ' 100' ' ' PHE . 31.3 t80 -74.35 156.81 36.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -140.49 90.36 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.12 28.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 m -86.31 57.63 4.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -150.0 -146.23 4.28 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.13 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -147.13 164.48 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.8 t -146.31 100.53 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.123 . . . . 0.0 110.977 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.0 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -171.79 125.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.34 -147.96 12.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.597 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 35.8 m -101.48 149.08 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.953 HD11 HD22 ' A' ' 96' ' ' LEU . 2.0 tp -123.94 148.37 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' CD1' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.33 147.72 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.703 HG11 ' HG ' ' A' ' 37' ' ' LEU . 47.3 t -141.9 100.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.837 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 38.5 t -94.69 105.59 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.802 HD11 HG21 ' A' ' 35' ' ' VAL . 24.2 tp -84.84 91.39 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' CB ' ' A' ' 107' ' ' PRO . 56.7 t -67.93 -87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 28.1 p -153.91 -174.33 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -147.39 124.17 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.2 mttt -109.41 151.3 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.09 179.37 22.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.553 HD11 ' HE2' ' A' ' 118' ' ' TYR . 3.0 mm? -70.32 -169.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -39.71 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -117.78 61.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.01 120.98 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -82.88 51.99 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 14.6 t80 -96.67 120.87 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 4.7 mt 63.62 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -127.68 124.74 38.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 55.87 58.55 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 8.9 ptm -165.86 -177.04 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.715 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.9 m-20 -130.76 67.96 81.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -74.98 150.36 38.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 45.3 p90 -135.57 150.8 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.802 HG21 HD11 ' A' ' 16' ' ' LEU . 88.2 t -92.88 148.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -135.05 109.1 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -80.32 165.72 22.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 37' ' ' LEU . 1.3 m -155.58 119.98 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -142.39 98.58 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 60.97 88.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ARG . 27.3 p 34.04 33.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.83 112.18 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.82 166.71 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 69.5 mt-30 -157.76 121.88 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 158.66 20.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.16 175.75 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.064 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -48.51 158.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.715 HG13 ' HB3' ' A' ' 32' ' ' ASP . 4.4 t -90.42 113.14 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -61.35 84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HG3' HG12 ' A' ' 48' ' ' VAL . 23.1 mt-10 -74.87 117.51 16.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 34.92 68.31 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.2 -30.8 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.021 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 109.33 -157.43 15.12 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.107 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 p -79.42 4.33 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 0.731 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 20' ' ' LYS . 11.6 p -136.06 67.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.99 122.37 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 6.4 mt-10 -96.38 179.63 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 21.2 m-90 -157.13 -45.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m120 52.5 35.81 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -93.13 -178.33 4.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -153.36 127.39 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.8 m-85 -122.69 124.73 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.597 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 23.3 mm -99.53 132.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 67.8 m-85 -125.15 162.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -108.68 105.69 15.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 21.4 t -81.58 147.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.42 ' HB2' ' NH2' ' A' ' 40' ' ' ARG . 1.1 m -165.94 67.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.49 161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.84 -55.66 4.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 119.99 23.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.8 p -135.6 13.01 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.3 pt-20 -160.88 149.57 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 37' ' ' LEU . 5.5 tp -106.99 142.58 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -107.53 129.12 55.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.19 113.23 16.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 19.6 mttp -114.52 139.04 49.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.817 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -110.97 145.41 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.031 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 30.3 m-85 -145.83 -147.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 82' ' ' VAL . 3.8 t0 -136.23 128.0 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HD2' HG11 ' A' ' 48' ' ' VAL . 3.0 ptmt -40.09 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -72.19 -54.0 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -70.08 -162.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.712 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -141.97 151.4 22.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.435 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 66.6 p -39.8 -37.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.44 77.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.67 -68.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.48 113.19 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.031 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -95.6 114.32 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.817 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -43.51 -27.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.66 -176.37 47.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -155.32 171.22 20.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.671 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -152.55 151.91 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -110.94 112.45 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.11 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -108.37 101.23 41.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.0 142.62 28.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 12' ' ' LEU . 10.6 mt -100.7 9.47 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -67.85 -38.22 13.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.95 -30.16 7.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.622 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -80.37 -29.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.726 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 6.1 m-85 -76.94 -19.36 57.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.0 t -96.82 -43.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.7 -41.93 17.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 97.56 -9.18 64.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -165.11 124.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.622 HG12 HG23 ' A' ' 99' ' ' VAL . 48.7 mm -121.66 134.77 24.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.06 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.43 ' CB ' HG21 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.46 148.01 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.45 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.813 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -77.97 103.04 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.44 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.9 m-85 -84.71 132.65 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.92 123.99 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 92' ' ' ALA . 40.7 t -107.13 112.19 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.8 168.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.1 90.86 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.6 t0 83.48 -22.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.33 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.1 mt-10 -84.55 137.25 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 120' ' ' GLY . 35.2 t80 -78.22 108.34 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.576 ' HB2' HG12 ' A' ' 112' ' ' VAL . 10.2 mmpt? -77.31 -44.04 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.582 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 171.12 -123.96 1.08 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.602 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 6.0 pt-20 -149.95 146.72 27.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.58 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.3 tt -118.79 121.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.813 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.5 m95 -83.86 122.36 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 12.8 t -151.46 148.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.837 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -117.96 149.9 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.11 HD11 ' CG2' ' A' ' 94' ' ' ILE . 4.7 mt -128.71 147.36 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 13' ' ' GLU . 59.4 m -151.79 113.99 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 8' ' ' PRO . 19.5 t80 -90.46 145.11 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -135.83 90.78 18.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.4 19.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -74.98 142.56 28.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.697 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.6 p-80 -167.42 118.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 170.57 -131.02 2.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.557 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 61.8 m -111.84 137.18 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 96' ' ' LEU . 1.2 tp -117.62 137.73 52.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -108.2 137.2 46.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 37' ' ' LEU . 53.0 t -131.28 108.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 18.9 t -102.84 99.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 35' ' ' VAL . 21.7 tp -79.05 84.51 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 18' ' ' SER . 78.6 t -60.38 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 14.7 p -146.26 -177.78 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.744 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -157.74 118.17 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.798 ' CB ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -109.61 148.93 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.6 -147.14 19.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.786 HD11 ' CD2' ' A' ' 118' ' ' TYR . 65.1 mt -121.87 -171.27 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -105.03 -17.59 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -120.19 48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.85 111.12 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.02 88.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.658 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 11.6 t80 -142.03 111.88 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.918 ' O ' HG22 ' A' ' 54' ' ' THR . 5.4 mt 75.83 71.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -138.8 120.35 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 46.25 67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.8 ptm -163.84 175.67 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 64.7 m-20 -129.78 69.29 81.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.3 Cg_endo -74.94 156.35 43.24 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 19.1 p90 -132.05 148.94 52.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 16' ' ' LEU . 78.2 t -90.51 140.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 45' ' ' LYS . 19.0 tt0 -118.15 94.78 4.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.957 HD22 HD21 ' A' ' 73' ' ' LEU . 48.9 mt -68.9 142.11 54.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.814 ' O ' HD12 ' A' ' 73' ' ' LEU . 2.2 m -142.55 128.95 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -135.82 93.88 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.46 -84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.4 p -125.47 2.2 7.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -98.49 121.77 40.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.79 135.65 55.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -150.5 125.37 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -104.39 166.68 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -110.82 165.78 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -47.95 159.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' GLU . 6.4 t -81.07 119.41 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -62.04 78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' VAL . 21.1 mt-10 -69.08 121.73 17.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.13 79.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.532 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 13.8 mmt -116.1 -32.0 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.03 -132.37 10.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -106.29 12.15 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 110.445 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.798 HG22 ' CB ' ' A' ' 20' ' ' LYS . 1.8 p -150.65 76.73 8.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.614 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -75.04 136.6 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 55.3 mp0 -112.14 132.56 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.455 ' C ' ' N ' ' A' ' 60' ' ' GLU . 25.1 m-90 -111.89 -37.05 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 108.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' TRP . 1.3 m-20 39.31 30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' TRP . 20.6 mm-40 -84.72 -177.12 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -145.65 120.98 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 40.9 m-85 -124.67 127.17 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.9 mm -98.4 141.21 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 28.5 m-85 -134.97 128.28 32.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -70.13 124.33 23.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -113.52 133.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.516 ' HA ' ' CB ' ' A' ' 9' ' ' HIS . 2.3 t -144.33 -67.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' GLU . 5.0 pt-20 -144.22 118.45 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.15 -30.5 7.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.452 HG23 ' SG ' ' A' ' 39' ' ' CYS . 1.7 m -69.27 92.24 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.7 p -128.58 2.77 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -174.69 143.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.957 HD21 HD22 ' A' ' 37' ' ' LEU . 14.8 tp -103.33 146.25 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -112.34 113.79 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -109.88 117.45 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 17.0 mttt -116.07 140.64 49.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.788 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -106.79 125.03 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.199 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 96.3 m-85 -132.06 163.21 28.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.824 ' O ' HG12 ' A' ' 82' ' ' VAL . 5.2 t0 -83.67 156.22 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -62.28 -12.0 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -120.46 68.82 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.6 p -173.98 168.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -118.28 134.79 11.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' GLY . 66.9 p -35.25 -36.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLY . 31.0 mt-10 -97.52 57.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.495 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 15.6 t0 -142.2 -65.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 175.56 119.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.199 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -96.92 131.27 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.788 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -44.18 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.89 179.05 47.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.0 171.62 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 0.761 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.651 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -152.85 139.21 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 15.6 m -95.22 112.37 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.122 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.7 mt -106.74 101.64 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.99 145.44 31.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 12' ' ' LEU . 8.2 mt -101.17 0.52 37.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.8 tt0 -58.34 -42.13 93.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.23 7.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -86.92 -0.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 8.4 m-30 -99.29 -31.91 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.6 m -95.31 -31.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.11 -33.28 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.47 71.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -172.4 134.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 106' ' ' PRO . 5.2 mm -131.08 140.41 38.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -75.0 104.02 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 m -114.61 148.0 38.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.79 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -79.67 101.34 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 89.1 m-85 -79.2 136.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.98 128.43 21.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 92' ' ' ALA . 41.5 t -111.6 113.36 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.32 172.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 30.5 tptt -150.13 90.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 13.2 t0 89.16 -27.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.5 OUTLIER 158.63 -21.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 113' ' ' VAL . 2.1 mm-40 -86.42 151.12 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.786 ' CD2' HD11 ' A' ' 22' ' ' LEU . 57.1 t80 -86.05 113.66 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HB2' HG12 ' A' ' 112' ' ' VAL . 1.1 mmpt? -81.92 -54.64 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.41 -136.44 2.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.758 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.9 pt-20 -138.84 152.66 48.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.744 HG13 ' HB2' ' A' ' 19' ' ' ALA . 6.8 tt -125.73 121.53 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.79 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 45.9 m95 -87.44 121.67 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 123' ' ' TRP . 22.2 t -152.9 145.95 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.652 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -111.92 149.87 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.122 HD11 ' CG2' ' A' ' 94' ' ' ILE . 20.0 mt -125.82 142.37 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.95 93.57 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.49 ' HB2' HG13 ' A' ' 99' ' ' VAL . 11.9 t80 -76.58 158.84 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.6 mttm -149.11 89.75 4.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.88 28.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 179.07 140.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.78 -116.29 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.49 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 36.8 m -140.04 150.85 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 126' ' ' LEU . 14.2 tp -117.52 149.35 40.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tt0 -124.3 96.47 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.535 HG11 ' HG ' ' A' ' 37' ' ' LEU . 64.1 t -86.37 120.94 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.683 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 62.0 t -116.44 93.85 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.81 87.23 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 18' ' ' SER . 55.5 t -60.17 -87.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.466 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -146.47 -167.19 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -160.09 116.95 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.622 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -103.46 149.88 24.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.56 -141.74 8.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.799 HD21 ' HE2' ' A' ' 118' ' ' TYR . 76.9 mt -119.18 165.12 14.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.96 -19.49 37.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -126.44 46.02 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -163.57 129.94 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.0 90.63 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE1' ' HG ' ' A' ' 28' ' ' LEU . 7.6 t80 -131.55 126.25 34.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.583 HD21 HG21 ' A' ' 77' ' ' ILE . 15.1 mt 69.12 32.07 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' MET . 2.1 t-20 -60.41 -148.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.88 73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -146.72 179.66 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 11.8 m-20 -119.7 77.79 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.543 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 166.22 29.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.4 p90 -162.35 130.97 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.903 HG22 HG13 ' A' ' 77' ' ' ILE . 76.1 t -92.9 154.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.896 ' CD ' HG21 ' A' ' 84' ' ' THR . 16.2 tt0 -124.08 95.41 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.14 121.27 14.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.865 ' O ' HD12 ' A' ' 73' ' ' LEU . 88.1 m -124.19 138.67 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.26 98.11 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 108.317 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 -88.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.0 p -120.03 1.62 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -97.72 114.92 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.61 119.13 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -134.77 123.68 23.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 23.7 mtmt -104.42 166.52 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -112.1 159.23 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -48.62 149.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 13.7 t -74.71 116.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -64.61 86.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' GLY . 28.7 mt-10 -77.43 131.17 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.69 73.96 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.553 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.51 -32.38 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.43 -150.98 18.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 55' ' ' THR . 1.4 p -89.85 26.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.763 HG23 ' O ' ' A' ' 54' ' ' THR . 1.2 p -161.66 70.17 2.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.04 141.49 26.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -119.76 139.93 51.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -119.52 -43.11 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 44.81 34.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.7 172.03 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -134.74 125.41 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CD2' HD23 ' A' ' 37' ' ' LEU . 52.0 m-85 -126.12 126.48 44.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.4 mm -97.83 143.64 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 26.5 m-85 -137.22 139.34 40.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -74.54 110.61 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 12' ' ' LEU . 38.9 t -96.36 148.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 -72.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -140.83 140.07 34.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.76 -46.63 2.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -63.75 84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 p -111.51 -16.14 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.16 163.13 40.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.865 HD12 ' O ' ' A' ' 38' ' ' THR . 16.0 tp -117.32 145.62 43.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -109.52 122.59 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.91 102.53 8.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 38.5 mttp -103.63 138.52 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.908 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.9 mp -101.81 119.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.215 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 90.6 m-85 -125.78 168.5 13.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.779 ' HB3' HG13 ' A' ' 82' ' ' VAL . 59.9 t0 -93.75 135.46 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 13.0 ptmt -49.9 -20.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' N ' ' C ' ' A' ' 79' ' ' ASP . 16.5 t0 -81.07 -34.09 32.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.779 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.3 m -94.69 -168.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.541 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -138.42 145.28 16.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.896 HG21 ' CD ' ' A' ' 36' ' ' GLN . 59.6 p -35.47 -34.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' GLY . 18.2 mt-10 -99.88 70.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.33 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.78 121.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.215 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -102.58 124.02 47.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.908 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -43.35 -27.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -175.28 -179.16 45.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.85 172.22 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.693 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -156.21 138.53 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 16.5 m -99.25 113.98 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.647 ' CG2' HD21 ' A' ' 126' ' ' LEU . 3.6 mt -106.69 102.5 42.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.0 137.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 99' ' ' VAL . 17.6 mt -97.62 10.51 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.707 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tt0 -67.89 -38.57 14.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.05 -25.28 11.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -84.89 -7.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 15.4 m-30 -96.89 -31.12 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.8 m -93.31 -31.54 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.1 mm-40 -90.05 -32.3 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -11.36 58.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 105' ' ' ILE . 87.6 p -166.32 129.65 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.576 HG12 HG23 ' A' ' 99' ' ' VAL . 47.1 mm -121.34 134.79 24.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.0 168.26 25.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.508 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.2 Cg_endo -74.99 102.12 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 152.45 34.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.766 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -80.19 107.94 13.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 73.3 m-85 -85.24 143.44 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.12 131.88 52.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 92' ' ' ALA . 44.7 t -112.85 114.72 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.827 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.85 170.56 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 31.3 tptt -142.29 89.38 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 1.2 t70 83.63 -21.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 160.23 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.827 ' O ' HG12 ' A' ' 113' ' ' VAL . 12.0 pt-20 -81.14 165.73 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.799 ' HE2' HD21 ' A' ' 22' ' ' LEU . 52.2 t80 -102.01 117.95 35.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.448 ' CE ' ' HG3' ' A' ' 117' ' ' GLU . 6.6 mmpt? -88.41 -55.81 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -167.88 -137.46 2.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.406 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.6 pt-20 -140.93 143.83 34.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.585 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.4 tt -118.49 123.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.766 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 29.7 m95 -83.8 119.16 24.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.565 HG12 HD11 ' A' ' 126' ' ' LEU . 10.5 t -136.73 156.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.983 ' C ' HD13 ' A' ' 126' ' ' LEU . . . -143.12 123.72 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.983 HD13 ' C ' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -115.76 137.11 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 3.4 m -135.79 94.58 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.541 ' H ' HG22 ' A' ' 99' ' ' VAL . 32.2 t80 -64.56 156.8 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -143.55 90.5 7.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 178.92 119.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.3 -142.3 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 53.1 m -111.21 144.36 40.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.997 HD11 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -109.38 146.91 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.89 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -128.84 112.8 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.997 HG23 HD11 ' A' ' 12' ' ' LEU . 41.7 t -105.16 112.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.741 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 99.3 t -97.17 89.51 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.908 HD13 ' CB ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -65.76 104.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 18' ' ' SER . 40.0 t -85.41 -86.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.507 ' N ' HG12 ' A' ' 17' ' ' VAL . 48.6 p -156.37 -173.54 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -149.54 128.28 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.618 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.26 153.53 27.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.76 -179.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.717 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.6 mm? -77.71 164.58 25.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.61 -50.09 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -114.87 64.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -130.63 116.03 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.56 55.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 16.2 t80 -114.12 121.44 43.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD22 ' HG2' ' A' ' 33' ' ' PRO . 27.8 mt 72.58 24.83 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' MET . 2.3 t-20 -60.92 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.14 73.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.7 ptm -148.49 -173.2 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 12.2 m-20 -133.51 65.87 72.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HG2' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -74.94 160.45 40.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 35.4 p90 -141.46 147.8 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 ' CH2' ' A' ' 58' ' ' TRP . 97.5 t -92.39 148.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -137.97 95.7 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.914 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.69 126.3 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.773 HG23 ' HB3' ' A' ' 43' ' ' ASP . 8.7 m -119.97 139.21 52.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' HG21 ' A' ' 70' ' ' THR . 40.4 t -136.8 89.52 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.21 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.0 p -114.41 -26.4 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.442 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.461 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 11.6 pt20 -91.51 124.74 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.773 ' HB3' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -134.02 173.58 11.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 67.9 mt-30 -157.16 140.37 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -104.91 158.41 16.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.95 172.32 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -53.21 165.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.0 t -93.04 120.12 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -64.67 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLY . 24.1 mt-10 -75.56 120.33 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.3 73.76 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 5.6 mmt -115.45 -31.99 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 108.91 -162.06 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 p -80.03 3.48 20.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.618 HG22 ' CG ' ' A' ' 20' ' ' LYS . 10.7 p -134.95 64.02 60.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 55' ' ' THR . 18.3 Cg_endo -74.97 126.52 10.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 1.5 mt-10 -109.22 123.37 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.908 ' CB ' HD13 ' A' ' 16' ' ' LEU . 27.5 m-90 -93.44 -44.29 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 107.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 54.17 39.7 30.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . 7.9 mm-40 -94.84 171.73 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 119.65 16.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.914 ' CD1' HD23 ' A' ' 37' ' ' LEU . 55.8 m-85 -118.52 146.99 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.504 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.2 mm -118.36 142.86 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' HB2' HD12 ' A' ' 12' ' ' LEU . 40.5 m-85 -143.28 135.24 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -80.91 125.32 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.841 HG13 ' HB ' ' A' ' 70' ' ' THR . 45.7 t -111.86 143.74 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.6 t 156.99 44.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.93 43.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 71' ' ' THR . . . 88.51 -28.83 6.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.841 ' HB ' HG13 ' A' ' 66' ' ' VAL . 51.5 m -37.85 110.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.404 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 69' ' ' GLY . 4.2 p -140.42 32.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -177.83 153.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.981 HD22 HG21 ' A' ' 14' ' ' VAL . 4.3 tp -118.76 141.84 48.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.88 119.32 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.45 111.04 20.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 10.7 mttp -111.66 136.9 50.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.832 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -109.7 141.87 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.12 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 31.4 m-85 -141.9 -163.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 82' ' ' VAL . 18.4 t0 -116.62 135.67 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -44.63 -28.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.415 ' O ' HG23 ' A' ' 82' ' ' VAL . 67.8 m-20 -100.71 43.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 53.1 t -153.49 150.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -93.53 135.48 12.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.5 p -38.13 -32.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 83' ' ' GLY . 33.9 mt-10 -106.98 55.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.489 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.4 t70 -135.45 -68.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.83 114.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.12 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -92.86 117.55 30.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.832 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -41.18 -29.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.32 176.07 45.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -146.97 170.61 16.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.801 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -155.15 140.54 17.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 m -96.76 115.65 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.963 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -108.32 100.21 36.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.99 135.21 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.603 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.1 mt -96.79 6.15 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.682 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.0 tt0 -63.15 -39.76 54.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.02 -25.94 11.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.564 HG22 ' H ' ' A' ' 128' ' ' PHE . 1.2 p -88.56 -3.56 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 12.5 m-30 -97.94 -31.76 12.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.6 m -93.6 -34.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.67 -44.4 14.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.74 -13.04 61.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 105' ' ' ILE . 41.5 p -167.44 129.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 106' ' ' PRO . 44.3 mm -120.4 138.64 27.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.96 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -121.59 146.09 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.932 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -78.81 105.44 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 69.0 m-85 -81.66 131.78 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -44.63 123.63 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.801 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.2 t -110.88 111.39 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.459 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.22 169.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 46.5 tptt -143.55 88.99 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.1 t70 87.21 -22.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.565 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.76 -21.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.459 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.9 mt-10 -87.34 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.717 ' HE2' HD11 ' A' ' 22' ' ' LEU . 66.6 t80 -76.95 113.87 15.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.462 ' HB2' HG12 ' A' ' 112' ' ' VAL . 4.0 mmpt? -86.84 -29.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 159.73 -136.38 4.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.752 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 7.6 pt-20 -143.29 149.15 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.623 HG13 ' HB2' ' A' ' 19' ' ' ALA . 9.5 tt -116.82 121.31 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.932 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 36.2 m95 -83.46 123.72 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.476 HG23 ' C ' ' A' ' 123' ' ' TRP . 46.9 t -154.8 133.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.741 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -102.51 138.53 39.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.963 HD11 ' CG2' ' A' ' 94' ' ' ILE . 11.9 mt -113.99 136.36 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.98 96.47 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.564 ' H ' HG22 ' A' ' 99' ' ' VAL . 38.4 t80 -77.16 155.12 32.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -138.72 91.78 11.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.59 32.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.02 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.16 124.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.604 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.44 -140.57 6.27 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 48.7 m -121.6 144.69 48.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.9 HD11 HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -112.1 144.84 40.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.773 ' H ' HD22 ' A' ' 12' ' ' LEU . 3.1 tt0 -125.14 102.74 7.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.01 HG22 HD12 ' A' ' 126' ' ' LEU . 7.6 t -91.74 125.62 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.677 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 58.7 t -115.39 86.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 14.1 tp -70.47 89.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 18' ' ' SER . 55.6 t -63.15 -88.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.481 ' N ' HG12 ' A' ' 17' ' ' VAL . 3.0 p -149.72 -170.78 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.17 135.73 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.8 OUTLIER -122.48 150.28 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 -175.41 28.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.0 mm? -79.46 -151.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -100.67 -40.32 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -113.26 60.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.85 131.37 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 29' ' ' ASN . 2.1 t0 -91.85 35.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' A' ' 28' ' ' LEU . 20.2 t80 -85.73 126.55 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 66.45 25.63 10.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 26' ' ' ASP . 1.6 t-20 -60.82 -147.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.52 76.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.0 ptm -148.52 -172.93 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 1.3 m-20 -132.56 66.16 76.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -74.99 163.86 34.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.555 1.818 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 32.4 p90 -147.6 141.47 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.565 HG23 ' CZ2' ' A' ' 58' ' ' TRP . 46.0 t -91.83 145.23 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -129.06 96.08 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -68.49 156.06 38.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 73' ' ' LEU . 12.5 m -149.23 134.76 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 29.4 t -134.02 107.64 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.4 mmm180 67.95 -84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 p -138.86 17.47 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.578 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -114.04 114.76 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -108.72 148.74 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -152.02 122.43 7.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 3.3 mtmt -87.19 159.22 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -111.16 167.44 10.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -48.26 155.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 12.1 t -88.3 124.57 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -68.87 82.11 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HG3' HG12 ' A' ' 48' ' ' VAL . 55.1 mt-10 -76.03 114.35 14.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.56 73.12 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmt -115.55 -23.44 8.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.72 -151.14 19.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 55' ' ' THR . 1.1 p -88.3 27.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 54' ' ' THR . 1.4 p -155.37 70.08 5.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.96 123.52 7.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -112.67 137.62 50.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CZ2' HG23 ' A' ' 35' ' ' VAL . 22.8 m-90 -112.37 -49.62 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 108.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m120 54.47 40.58 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -96.0 -175.13 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 16.0 m -145.47 117.19 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.762 ' CD2' HD23 ' A' ' 37' ' ' LEU . 62.4 m-85 -118.24 124.57 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.2 mm -94.78 150.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 18.3 m-85 -147.83 145.54 28.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.44 115.58 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 15.6 t -97.8 148.85 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -177.15 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -156.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.51 25.67 8.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 70' ' ' THR . 0.9 OUTLIER -87.31 101.44 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 110.375 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.7 p -121.23 40.27 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 6.5 pt-20 -177.89 136.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.956 HD22 HG21 ' A' ' 14' ' ' VAL . 5.0 tp -96.62 141.43 29.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -104.25 125.63 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.06 99.2 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 4.1 mttp -100.3 123.23 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.778 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -89.36 144.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.061 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.6 m-85 -142.76 -170.61 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.5 ' OD1' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.97 133.05 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' HD3' HG11 ' A' ' 48' ' ' VAL . 1.1 ttpt -43.7 -35.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 82' ' ' VAL . 36.7 m-20 -91.12 41.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 84.0 t -157.33 153.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -98.88 134.26 11.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.458 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 25.2 p -36.46 -36.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.22 54.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 65.1 t0 -137.68 -66.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -167.86 119.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.061 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -94.76 116.12 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.778 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -40.86 -30.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.1 -179.83 48.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.45 171.32 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.743 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -156.55 144.28 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 18.0 m -104.43 112.3 25.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.645 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.2 mt -106.93 102.06 40.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.4 Cg_endo -74.97 136.02 19.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.0 mt -96.04 4.07 52.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.5 tt0 -60.46 -40.76 79.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -83.43 -8.72 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 13.5 m-30 -94.44 -33.89 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.4 m -90.25 -32.62 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.2 mm-40 -87.83 -37.68 16.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -12.19 68.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.549 ' O ' HD13 ' A' ' 105' ' ' ILE . 18.8 p -164.8 129.27 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.687 HG12 HG23 ' A' ' 99' ' ' VAL . 43.5 mm -122.5 137.73 28.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.97 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.542 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.98 102.76 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.27 155.4 28.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -85.56 114.95 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 72.8 m-85 -93.67 137.01 33.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.93 131.4 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.743 HG22 ' HB2' ' A' ' 92' ' ' ALA . 50.3 t -118.44 113.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.68 169.88 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 43.3 tptt -143.16 88.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 87.38 -22.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.22 -21.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.23 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.75 ' HE2' HD11 ' A' ' 22' ' ' LEU . 64.0 t80 -77.56 113.07 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -81.71 -37.36 27.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 169.23 -141.45 6.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.8 pt-20 -137.15 142.1 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.527 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.8 tt -113.5 120.71 64.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.3 m95 -80.65 113.34 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.606 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 47.6 t -129.06 160.62 39.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.677 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -148.88 116.08 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.01 HD12 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -105.35 141.7 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER -137.8 86.6 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.692 ' H ' HG22 ' A' ' 99' ' ' VAL . 30.5 t80 -60.7 163.1 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -147.5 90.44 5.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.01 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.19 144.9 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.67 -140.44 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 94.2 m -107.42 150.75 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.848 HD11 HD22 ' A' ' 96' ' ' LEU . 1.1 tp -125.68 143.69 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.3 tt0 -110.77 146.21 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.908 HG11 ' HG ' ' A' ' 37' ' ' LEU . 52.9 t -136.19 106.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.651 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 30.6 t -102.55 103.6 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.741 HD11 HG21 ' A' ' 35' ' ' VAL . 13.5 tp -85.55 91.83 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG12 ' OG ' ' A' ' 18' ' ' SER . 72.7 t -68.65 -89.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.519 ' OG ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -151.11 -171.98 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.014 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.25 140.13 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CG ' HG22 ' A' ' 55' ' ' THR . 3.3 mttt -123.63 147.09 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.59 -177.34 29.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.73 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.8 mm? -74.55 -168.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.18 -40.57 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.53 61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.88 127.14 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.91 38.05 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 13.4 t80 -83.39 114.92 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 17.0 mt 76.06 31.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -60.01 -146.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -63.37 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.6 ptm -153.49 -179.14 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 m-20 -126.53 73.52 74.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 177.4 8.64 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CD2' ' HD2' ' A' ' 45' ' ' LYS . 41.6 p90 -161.61 144.28 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.741 HG21 HD11 ' A' ' 16' ' ' LEU . 34.0 t -91.72 140.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 45' ' ' LYS . 3.3 tt0 -125.25 100.03 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.908 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -64.4 143.16 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.472 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -139.65 120.78 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -130.62 91.34 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.287 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? 63.12 -84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.1 p -119.79 -5.11 10.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -92.72 115.21 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.15 120.59 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 69.3 mt-30 -132.33 122.39 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HD2' ' CD2' ' A' ' 34' ' ' TYR . 1.5 ttpm? -122.37 156.13 34.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -110.1 165.23 11.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' SER . 2.9 m120 -49.3 177.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 6.5 m -91.01 148.86 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -80.72 87.68 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.1 mt-10 -70.42 132.49 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.23 67.3 0.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.471 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -116.03 -32.46 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.98 -153.28 20.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 p -82.52 10.31 7.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.499 HG22 ' CG ' ' A' ' 20' ' ' LYS . 3.2 p -138.7 73.54 40.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.177 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.478 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 153.12 41.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.79 150.74 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.55 ' CH2' HG23 ' A' ' 35' ' ' VAL . 16.5 m-90 -130.69 -51.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LEU . 4.7 m120 61.92 34.72 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -177.61 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m -144.75 124.41 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' CD2' HD23 ' A' ' 37' ' ' LEU . 42.5 m-85 -126.48 121.8 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 8.1 mm -89.93 141.57 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' HB2' HD23 ' A' ' 12' ' ' LEU . 44.3 m-85 -132.21 124.91 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -68.53 120.34 14.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 55.2 t -97.35 148.02 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -176.92 74.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 56.67 161.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.94 -55.13 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 11.7 m -66.11 116.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.1 p -141.85 13.3 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -173.74 152.63 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 38' ' ' THR . 12.5 tp -112.97 145.52 40.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -109.66 127.57 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.87 123.26 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 10.9 mttp -121.31 140.49 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.725 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -114.97 144.34 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.96 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 14.6 m-85 -144.18 -159.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.768 ' HB3' HG13 ' A' ' 82' ' ' VAL . 34.2 t0 -120.22 140.67 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -53.57 -28.24 30.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -73.06 -22.14 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.768 HG13 ' HB3' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -110.47 -176.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -129.69 154.91 20.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 21.8 p -37.16 -32.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' GLY . 3.7 pt-20 -107.65 78.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.79 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.88 112.44 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.96 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -89.49 116.08 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.725 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.7 OUTLIER -48.52 -29.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.56 176.29 44.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.01 168.26 23.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.833 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -146.66 151.0 36.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 m -107.15 113.12 26.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.092 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.5 mt -108.15 101.48 41.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -74.98 139.4 24.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.848 HD22 HD11 ' A' ' 12' ' ' LEU . 9.2 mt -98.19 7.38 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.8 tt0 -63.99 -41.59 63.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.1 Cg_endo -75.04 -28.45 9.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.658 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -84.6 -3.57 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 1.9 m-85 -100.08 -23.84 14.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.7 m -103.36 -32.09 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.74 -36.28 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.59 76.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -174.26 123.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 99' ' ' VAL . 35.2 mm -111.52 139.87 22.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.06 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 101.58 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -116.29 150.1 38.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.852 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -83.2 105.13 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.541 ' CD2' HG12 ' A' ' 94' ' ' ILE . 79.1 m-85 -82.0 137.34 35.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -51.39 127.96 21.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.833 HG22 ' HB2' ' A' ' 92' ' ' ALA . 39.6 t -112.91 110.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.561 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -108.3 172.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 12.4 tptt -146.84 90.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.1 t0 87.18 -25.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER 158.53 -22.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.561 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.3 mm-40 -86.88 153.14 21.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.73 ' HE2' HD11 ' A' ' 22' ' ' LEU . 46.8 t80 -86.49 127.24 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.77 -31.88 10.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 161.13 -142.87 8.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.852 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.5 pt-20 -135.26 149.41 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.453 ' HB ' HG21 ' A' ' 112' ' ' VAL . 3.3 tt -119.15 121.8 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.777 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 44.7 m95 -83.8 121.44 27.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 123' ' ' TRP . 23.7 t -153.11 141.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.651 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -114.72 142.87 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.092 HD11 ' CG2' ' A' ' 94' ' ' ILE . 2.7 mt -119.77 151.61 38.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -150.08 112.34 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 25.8 t80 -91.93 144.15 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -133.86 90.33 27.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 133.02 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -75.0 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -168.16 135.79 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.08 -127.62 1.88 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.609 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 63.9 m -125.82 152.27 45.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.057 HD22 ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -119.49 130.8 55.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 1.057 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -110.39 123.19 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.769 ' CG2' HD11 ' A' ' 12' ' ' LEU . 67.3 t -118.61 108.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 43.7 t -98.69 95.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 35' ' ' VAL . 17.3 tp -71.48 85.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 107' ' ' PRO . 79.6 t -62.62 -84.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.417 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 80.0 p -153.33 -171.19 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -153.68 147.1 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -125.41 144.25 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.08 174.06 19.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? -68.31 -171.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.71 -9.32 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.43 53.32 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.42 -156.88 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -145.72 79.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.814 ' CE1' HD13 ' A' ' 28' ' ' LEU . 33.4 t80 -148.06 124.24 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.814 HD13 ' CE1' ' A' ' 27' ' ' PHE . 3.5 mp 66.62 36.03 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.31 121.53 45.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 41.75 77.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 9.9 ptm -171.74 -179.83 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.561 ' HB3' HG13 ' A' ' 48' ' ' VAL . 32.7 m-20 -129.79 68.22 80.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.08 160.37 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 50.5 p90 -142.7 146.53 34.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 16' ' ' LEU . 85.0 t -91.24 148.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 8.6 tt0 -134.64 97.55 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.942 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.62 139.73 57.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -133.98 141.19 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.512 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -141.67 95.39 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.3 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.38 8.62 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.576 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 2.2 pt20 -109.73 114.11 27.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -110.05 155.55 21.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -150.42 120.8 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 4.6 mtmp? -90.71 155.74 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.57 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -59.08 157.36 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 32' ' ' ASP . 8.2 t -86.1 126.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -75.59 89.38 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' HG3' HG12 ' A' ' 48' ' ' VAL . 45.0 mt-10 -82.38 130.98 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.12 70.61 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.458 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.46 -32.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.985 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.81 -146.61 18.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -88.42 21.05 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 20' ' ' LYS . 1.8 p -148.8 70.26 10.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.5 Cg_endo -75.0 144.0 29.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mp0 -119.29 172.36 7.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 24.8 m-90 -158.0 -46.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 26.04 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -176.35 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -150.81 119.05 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.942 ' CD1' HD23 ' A' ' 37' ' ' LEU . 93.1 m-85 -114.72 147.59 39.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.609 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.9 mm -123.47 140.31 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 60.6 m-85 -139.55 144.9 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -79.01 131.48 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.81 140.18 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -141.69 -70.56 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.59 145.6 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.7 -41.86 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 44.8 m -69.2 94.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -128.25 33.05 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.4 pt-20 -176.13 150.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 74' ' ' LYS . 2.3 tm? -107.51 151.74 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 1.023 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.52 127.03 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.76 103.58 6.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.2 mttp -104.02 131.45 51.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.916 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -97.11 138.18 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.167 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.4 m-85 -139.36 -169.15 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 82' ' ' VAL . 14.2 t70 -121.43 130.06 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -42.38 -33.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 82' ' ' VAL . 1.2 t0 -94.36 44.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 81' ' ' ASP . 79.2 t -157.54 154.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -97.44 136.14 12.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -38.45 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 83' ' ' GLY . 4.7 pt-20 -108.36 59.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 30.1 t0 -138.63 -70.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -168.05 111.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.167 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -86.94 116.52 25.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.916 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -39.81 -30.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 178.79 -177.84 48.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.71 174.33 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.734 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -158.54 140.58 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 m -107.11 111.14 23.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.124 ' CG2' HD11 ' A' ' 126' ' ' LEU . 2.7 mp -106.62 107.07 59.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.01 139.31 24.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 9.7 mt -96.06 3.84 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.668 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tt0 -60.75 -40.85 78.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -27.29 10.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.806 HG23 HG12 ' A' ' 105' ' ' ILE . 1.1 p -89.51 -4.27 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 9.4 m-30 -95.22 -34.1 12.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.9 m -88.55 -34.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.431 ' HG2' HG23 ' A' ' 101' ' ' VAL . 3.5 mm-40 -84.75 -46.11 11.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.78 -4.83 61.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.163 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 105' ' ' ILE . 79.5 p -170.07 128.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.806 HG12 HG23 ' A' ' 99' ' ' VAL . 39.6 mm -126.76 140.84 38.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.55 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 101.93 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -111.62 148.41 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.847 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -83.85 106.06 15.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.589 ' CD2' HG12 ' A' ' 94' ' ' ILE . 95.2 m-85 -86.39 134.86 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.65 121.56 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 92' ' ' ALA . 56.2 t -105.31 113.3 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.1 172.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -148.43 92.62 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 10.9 t0 85.82 -26.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.16 -21.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 113' ' ' VAL . 2.8 mm-40 -85.97 152.1 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.484 ' CD2' HD21 ' A' ' 22' ' ' LEU . 58.5 t80 -88.03 119.98 28.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 4.0 mmpt? -93.42 -23.89 18.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 149.32 -144.17 11.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.732 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 10.0 pt-20 -133.12 146.4 51.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 112' ' ' VAL . 4.5 tt -118.86 122.79 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.847 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.0 m95 -84.55 126.08 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.44 HG23 ' C ' ' A' ' 123' ' ' TRP . 30.2 t -153.68 139.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.589 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -107.68 145.23 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.124 HD11 ' CG2' ' A' ' 94' ' ' ILE . 9.8 mt -119.94 140.85 50.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -148.96 88.66 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.57 ' HB2' HG13 ' A' ' 99' ' ' VAL . 41.1 t80 -73.34 144.38 46.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -127.59 90.69 47.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 146.71 33.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 -179.04 4.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -166.41 130.43 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.9 -136.86 4.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.415 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 54.2 m -130.18 143.48 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.929 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -106.39 144.71 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.861 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.4 tt0 -127.15 102.17 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.929 HG23 HD11 ' A' ' 12' ' ' LEU . 23.2 t -89.17 125.16 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 59.6 t -114.15 91.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD21 ' HB ' ' A' ' 35' ' ' VAL . 7.9 tp -69.82 91.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 107' ' ' PRO . 65.6 t -67.43 -85.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' TRP . 83.8 p -157.72 -167.64 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -156.11 142.38 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HG2' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -134.39 153.37 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.11 -174.49 30.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.739 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.8 mm? -73.4 164.91 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -51.66 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.46 67.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -135.68 119.0 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' ASP . 5.3 t0 -78.45 74.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.523 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 13.9 t80 -125.61 118.91 26.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD13 ' CD ' ' A' ' 56' ' ' PRO . 13.1 mt 75.36 33.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.8 t-20 -63.51 -147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 72.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.2 ptm -144.76 -173.06 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.652 ' HB3' HG13 ' A' ' 48' ' ' VAL . 19.3 m-20 -126.1 71.39 69.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.3 Cg_endo -75.0 150.96 38.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 43.1 p90 -149.14 134.87 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.014 HG22 HG13 ' A' ' 77' ' ' ILE . 87.1 t -92.01 148.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.629 ' OE1' HG21 ' A' ' 84' ' ' THR . 15.2 tt0 -120.16 97.19 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.764 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.04 128.02 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.79 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.7 m -129.58 134.34 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.37 110.66 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 108.309 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.504 ' CD ' ' OG1' ' A' ' 70' ' ' THR . 0.0 OUTLIER 60.26 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -136.81 10.29 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -101.31 114.68 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.03 130.41 55.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -148.3 124.01 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 34' ' ' TYR . 18.6 mtpt -97.52 166.36 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -110.85 169.7 8.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -48.59 158.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HB3' ' A' ' 32' ' ' ASP . 4.0 t -88.34 105.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -63.48 90.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.583 ' HG3' HG12 ' A' ' 48' ' ' VAL . 14.9 mt-10 -77.47 116.24 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.62 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.694 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 5.3 mmt -110.44 -31.22 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 54' ' ' THR . . . 102.72 70.83 0.86 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.511 ' C ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER 43.9 26.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' C ' ' A' ' 54' ' ' THR . 31.4 p -157.07 74.91 4.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.528 ' CD ' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 112.01 3.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -102.12 132.61 47.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.462 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 17.8 m-90 -113.93 -58.97 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.034 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' LEU . 4.6 m120 63.41 36.42 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -171.15 2.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 4.7 m -148.75 119.91 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.593 ' CD1' HD23 ' A' ' 37' ' ' LEU . 44.3 m-85 -120.17 133.11 55.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.3 mm -103.42 152.99 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 43.7 m-85 -152.48 129.72 11.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -73.48 130.58 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.44 147.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t -159.04 -52.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -167.9 140.96 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.86 -52.82 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m -69.76 104.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.1 p -130.22 5.09 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -164.41 143.56 7.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.862 HD22 HG21 ' A' ' 14' ' ' VAL . 6.8 tp -99.93 142.31 31.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 123.54 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.85 102.96 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.4 mttp -105.42 132.19 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 1.014 HG13 HG22 ' A' ' 35' ' ' VAL . 4.0 mp -102.27 142.73 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.154 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 78.5 m-85 -143.28 -158.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.738 ' HB3' HG13 ' A' ' 82' ' ' VAL . 14.2 t0 -124.9 126.02 44.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 -29.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 22.0 t70 -70.66 -54.75 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.738 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.4 m -68.93 -163.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.623 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -140.4 155.02 24.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.629 HG21 ' OE1' ' A' ' 36' ' ' GLN . 6.0 p -40.26 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' GLY . 59.7 mt-10 -116.07 82.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.28 -69.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.83 114.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.154 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -93.64 117.85 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.833 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.91 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.47 178.42 46.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -149.07 176.93 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.682 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -161.34 141.97 11.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 23.7 m -100.1 114.72 28.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.0 mt -108.46 100.15 36.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.03 136.75 20.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.619 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 21.2 mt -96.51 6.04 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.716 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.7 tt0 -62.69 -39.83 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -28.47 9.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG22 ' H ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -83.56 -10.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.619 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -92.19 -34.83 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.716 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.3 m -88.87 -35.37 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 101' ' ' VAL . 5.1 mm-40 -86.27 -29.38 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.99 -8.52 50.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 83.7 p -168.48 130.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.476 HG23 ' HD2' ' A' ' 106' ' ' PRO . 16.3 mm -125.03 137.11 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.476 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.628 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 18.2 Cg_endo -74.98 111.13 3.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -124.78 158.4 33.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -89.73 112.37 23.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 90.9 m-85 -89.54 135.81 33.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.95 124.28 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.682 HG22 ' HB2' ' A' ' 92' ' ' ALA . 49.5 t -109.61 112.61 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.89 172.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 45.5 tptt -146.3 90.23 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.687 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 76.5 m-20 81.96 -21.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.539 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.25 -21.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -86.49 137.54 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.739 ' HE2' HD11 ' A' ' 22' ' ' LEU . 64.7 t80 -77.89 101.74 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.554 ' HB2' HG12 ' A' ' 112' ' ' VAL . 7.4 mmpt? -68.49 -42.15 79.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.487 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 170.09 -130.01 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.55 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.5 pt-20 -145.0 143.27 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.794 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.61 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.4 tt -114.4 118.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.471 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 33.9 m95 -78.38 120.67 23.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.604 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 4.6 t -141.79 165.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 107' ' ' PRO . . . -152.63 122.71 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -109.1 140.65 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -134.95 88.49 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.721 ' H ' HG22 ' A' ' 99' ' ' VAL . 26.7 t80 -63.94 159.9 18.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -143.21 88.67 8.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.21 26.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.8 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 113.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.96 -136.92 3.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.501 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 50.0 m -125.48 146.9 49.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.956 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -109.0 148.21 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.874 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.1 tt0 -131.23 110.31 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.987 HG21 HD22 ' A' ' 73' ' ' LEU . 24.9 t -105.38 109.4 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.739 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 96.8 t -96.51 92.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.902 HD13 ' CB ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -64.62 102.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.66 HG12 ' N ' ' A' ' 18' ' ' SER . 7.7 t -81.04 -85.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.66 ' N ' HG12 ' A' ' 17' ' ' VAL . 9.9 p -151.55 -170.19 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.84 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -157.9 136.44 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.1 mttm -112.3 156.71 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -124.43 54.02 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 118' ' ' TYR . 51.8 mt 45.04 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.65 8.5 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.2 41.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 21' ' ' GLY . . . -145.77 128.34 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 8.6 p-10 -82.39 50.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.747 ' CE1' HD13 ' A' ' 28' ' ' LEU . 31.5 t80 -104.68 128.52 52.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER 67.01 20.09 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' MET . 5.3 t-20 -60.75 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.1 74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.1 ptm -149.33 -172.69 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.6 m-20 -132.41 62.99 66.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.0 164.0 34.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 50.7 p90 -143.27 146.02 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.451 HG23 ' CH2' ' A' ' 58' ' ' TRP . 98.4 t -91.19 147.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' OE1' HG21 ' A' ' 84' ' ' THR . 14.4 tt0 -140.29 107.28 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.809 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -76.02 165.45 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.832 HG23 ' HB3' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -149.02 127.14 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' HG21 ' A' ' 70' ' ' THR . 1.8 t -142.45 89.2 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.1 OUTLIER 60.16 96.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' ARG . 76.9 p 32.36 38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -147.04 112.36 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.832 ' HB3' HG23 ' A' ' 38' ' ' THR . 3.1 p30 -125.61 165.34 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 69.1 mt-30 -152.52 120.79 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 20.2 mtmt -86.04 154.77 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.632 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.33 171.11 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -48.37 152.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.551 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.3 t -78.7 133.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.21 82.66 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.7 mt-10 -73.79 119.41 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.87 64.65 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.24 -32.16 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 105.79 -171.67 18.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -65.12 -9.88 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.498 HG22 ' CG ' ' A' ' 20' ' ' LYS . 20.4 p -126.81 72.54 75.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HD2' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 131.08 13.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 60.1 mp0 -108.19 125.75 52.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.902 ' CB ' HD13 ' A' ' 16' ' ' LEU . 19.6 m-90 -104.3 -46.76 4.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 108.004 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER 54.12 34.98 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -84.55 -177.48 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -150.8 122.63 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.809 ' CD1' HD23 ' A' ' 37' ' ' LEU . 81.4 m-85 -121.16 147.1 46.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.501 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 4.5 mm -118.55 143.14 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.587 ' HD2' HD12 ' A' ' 12' ' ' LEU . 73.4 m-85 -142.3 154.22 44.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -93.65 129.18 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.752 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 26.8 t -114.19 149.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -156.64 -76.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -145.13 145.58 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.22 -58.15 4.74 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.496 HG21 ' SG ' ' A' ' 39' ' ' CYS . 17.4 m -70.41 105.27 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 p -131.55 12.92 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.25 153.45 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.987 HD22 HG21 ' A' ' 14' ' ' VAL . 3.8 tp -112.86 139.88 48.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 127.98 53.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -121.58 114.43 21.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 12.9 mttp -117.73 141.23 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.7 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.4 mp -116.44 149.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.792 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 5.6 m-85 -147.97 -154.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' VAL . 28.4 t70 -121.26 136.94 54.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.47 ' HE3' ' CB ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -45.63 -29.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 3.8 t0 -99.5 40.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 86' ' ' ASP . 52.5 t -152.33 148.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -92.73 139.73 14.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.607 HG21 ' OE1' ' A' ' 36' ' ' GLN . 9.3 p -35.73 -37.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.34 63.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.563 ' HB3' HG13 ' A' ' 82' ' ' VAL . 2.0 t0 -140.52 -52.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -177.72 109.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.792 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -87.16 135.39 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.7 ' CG2' HG22 ' A' ' 77' ' ' ILE . 2.9 m -71.29 -35.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.415 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -169.61 164.87 38.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -145.39 167.24 23.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -154.48 151.47 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.0 m -107.73 112.16 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.008 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.0 mt -107.04 102.53 43.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 137.97 22.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.618 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.9 mt -99.74 3.87 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.705 ' O ' HG13 ' A' ' 101' ' ' VAL . 3.9 tt0 -62.74 -40.15 61.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.6 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.586 HG23 HG12 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -76.28 -11.02 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.752 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 16.0 m-30 -93.45 -29.89 15.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.2 m -92.56 -36.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.4 mm-40 -84.45 -33.11 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.09 -8.95 71.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -172.84 130.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.586 HG12 HG23 ' A' ' 99' ' ' VAL . 5.0 mm -125.44 140.15 35.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.95 170.81 19.58 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -117.16 149.77 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.892 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -81.8 103.3 11.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.504 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.4 m-85 -82.24 134.75 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -47.01 128.97 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 92' ' ' ALA . 42.3 t -113.91 114.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.93 171.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 10.4 tppt? -152.31 90.75 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 90.12 -26.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 154.95 -19.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -85.41 137.66 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.467 ' CD2' HD11 ' A' ' 22' ' ' LEU . 59.2 t80 -77.23 100.4 5.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.587 ' HB2' HG12 ' A' ' 112' ' ' VAL . 1.7 mmpt? -66.0 -59.1 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -173.75 -124.32 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.677 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 8.8 pt-20 -150.15 145.72 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.84 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.0 tt -116.67 122.54 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.892 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.6 m95 -84.79 123.15 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.533 ' CG1' HG13 ' A' ' 14' ' ' VAL . 25.1 t -153.09 137.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.739 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -103.32 142.95 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.008 HD11 ' CG2' ' A' ' 94' ' ' ILE . 19.0 mt -117.11 133.58 55.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.54 102.68 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 99' ' ' VAL . 36.2 t80 -85.18 153.8 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 40.8 mttp -137.52 91.26 14.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.56 29.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -178.35 127.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.41 -150.58 18.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 19.0 m -111.6 151.04 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.946 HD11 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -113.25 141.44 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.671 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -124.48 109.5 13.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.129 HG21 HD22 ' A' ' 73' ' ' LEU . 30.3 t -98.86 123.43 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.16 91.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.76 94.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 107' ' ' PRO . 73.2 t -72.14 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -149.4 -174.16 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -151.6 130.96 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.866 ' CG ' HG22 ' A' ' 55' ' ' THR . 4.7 mttt -112.8 138.71 49.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.57 -151.9 14.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.776 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 52.5 mt -107.51 165.55 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.42 -18.59 33.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -127.83 46.42 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -162.42 132.42 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -85.18 90.25 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -130.05 120.67 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.696 HD22 ' CG ' ' A' ' 33' ' ' PRO . 39.0 mt 69.66 32.7 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' LEU . 1.8 t-20 -60.6 -145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.97 74.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.433 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 5.1 ptm -146.97 -174.62 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 23.9 m-20 -121.94 74.54 37.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.696 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 172.12 16.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 26.4 p90 -168.51 135.01 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.709 HG22 HG13 ' A' ' 77' ' ' ILE . 98.1 t -91.18 146.87 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -115.3 96.53 5.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.823 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.9 119.41 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 73' ' ' LEU . 39.0 m -124.94 138.3 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.497 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -141.47 89.36 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.235 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 65.81 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 p -111.44 -5.66 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -92.67 116.6 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.77 118.65 30.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' LEU . 51.1 mt-30 -137.64 127.08 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -100.35 165.53 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.67 159.95 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 58' ' ' TRP . 4.5 m120 -47.9 148.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 80' ' ' LYS . 14.2 t -74.61 132.83 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.46 88.87 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.09 132.62 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.01 64.13 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.541 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -112.5 -31.96 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.033 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 97.17 -156.75 20.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 p -81.87 10.59 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.866 HG22 ' CG ' ' A' ' 20' ' ' LYS . 9.0 p -140.32 64.27 24.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.3 Cg_endo -74.97 149.43 36.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -124.42 166.19 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 23.7 m-90 -145.78 -48.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m120 56.1 32.91 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.41 -172.86 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 m -152.74 120.37 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.823 ' CG ' HD23 ' A' ' 37' ' ' LEU . 20.7 m-85 -118.13 138.25 52.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.6 mm -109.77 147.42 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 71.7 m-85 -148.52 123.13 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -62.14 128.55 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 20.1 t -111.92 141.88 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -158.19 -60.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.64 137.03 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.05 -50.45 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.5 m -66.57 94.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -132.98 8.76 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -161.17 145.41 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.129 HD22 HG21 ' A' ' 14' ' ' VAL . 14.3 tp -104.76 145.72 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.48 123.42 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.42 102.78 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 11.2 mttm -102.16 120.98 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 1.01 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.4 mp -82.93 131.23 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.891 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 61.3 m-85 -134.38 -173.91 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' VAL . 9.1 t70 -124.86 130.52 52.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.566 ' HD3' HG11 ' A' ' 48' ' ' VAL . 3.5 ttpt -43.26 -37.9 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.569 ' O ' HG23 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -88.91 42.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 81' ' ' ASP . 53.6 t -157.82 146.91 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -92.17 134.96 12.48 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -38.62 -31.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' GLY . 36.7 mt-10 -104.7 50.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.502 ' HB3' HG13 ' A' ' 82' ' ' VAL . 26.5 t0 -129.71 -63.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.54 114.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.891 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -82.84 116.26 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.01 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.88 -27.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 179.58 -179.88 48.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.48 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.93 170.16 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.731 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -155.64 151.94 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 m -111.95 114.24 27.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.675 HG22 HD11 ' A' ' 126' ' ' LEU . 3.1 mt -109.39 99.59 37.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -74.96 137.76 22.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD13 ' HG ' ' A' ' 12' ' ' LEU . 3.1 mt -98.8 14.85 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.796 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -74.22 -32.72 1.51 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.01 -25.95 11.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.897 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -90.44 -26.02 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.672 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 9.0 m-30 -68.6 -29.49 68.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.7 m -95.87 -48.2 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.4 mm-40 -72.14 -42.88 65.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.88 -10.98 66.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.3 p -168.59 126.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.897 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.3 mm -126.39 140.76 38.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.574 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.97 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -119.2 141.87 48.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.802 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -71.06 100.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 94' ' ' ILE . 53.2 m-85 -80.19 135.18 36.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.66 122.09 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.731 HG22 ' HB2' ' A' ' 92' ' ' ALA . 22.6 t -107.02 111.13 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.539 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.26 171.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -148.35 94.05 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 5.5 t0 85.81 -26.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.06 -21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.539 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.31 151.55 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.727 ' HE2' HD21 ' A' ' 22' ' ' LEU . 67.9 t80 -89.26 119.05 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.484 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.9 mmpt? -89.86 -52.16 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.33 -135.45 2.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.758 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 9.1 pt-20 -143.8 147.73 34.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 19' ' ' ALA . 9.7 tt -119.98 122.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.802 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 33.8 m95 -84.23 124.36 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 5.9 t -151.56 134.97 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -117.46 134.21 55.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.73 ' HB2' HG11 ' A' ' 99' ' ' VAL . 2.8 mt -106.05 161.33 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.22 74.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 35.0 t80 -55.62 157.83 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -141.68 91.01 8.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.99 29.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.769 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -176.77 126.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.02 -115.15 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.514 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 22.3 m -141.03 158.23 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' HG21 ' A' ' 66' ' ' VAL . 4.4 tp -124.44 144.8 49.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.6 tt0 -121.12 119.09 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.596 HG11 ' HG ' ' A' ' 37' ' ' LEU . 73.7 t -110.81 114.19 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.787 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.3 t -105.78 95.91 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 35' ' ' VAL . 21.5 tp -73.25 90.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 107' ' ' PRO . 47.9 t -66.09 -86.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 17' ' ' VAL . 4.9 p -150.51 -169.98 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -155.57 136.97 14.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -122.45 150.32 42.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.07 -173.93 33.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.712 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 3.5 mm? -65.94 -170.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -85.33 -36.21 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -134.91 61.29 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -147.35 124.8 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 105.08 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -143.61 110.2 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 77' ' ' ILE . 1.6 mt 70.26 52.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.626 ' HB2' HG22 ' A' ' 54' ' ' THR . 19.2 t-20 -131.12 126.1 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.81 35.93 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.405 ' HE1' HD23 ' A' ' 28' ' ' LEU . 8.5 ptm -154.05 -179.83 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.5 m-20 -128.94 72.82 81.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.1 Cg_endo -75.06 155.78 42.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 46.6 p90 -141.06 147.73 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 16' ' ' LEU . 49.8 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 34.9 tt0 -130.65 97.37 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -65.23 151.19 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 42' ' ' GLN . 7.5 m -149.02 125.41 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -142.4 86.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.0 OUTLIER 56.01 115.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' ARG . 44.7 p 32.45 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.846 ' O ' HG23 ' A' ' 38' ' ' THR . 14.2 mt-30 -135.44 145.03 46.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 4.3 p30 -149.37 121.15 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.592 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -133.08 120.97 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 28.9 mtpt -103.6 155.98 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.581 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 7.2 p -111.35 176.33 5.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -48.54 153.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 80' ' ' LYS . 12.1 t -86.9 111.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -58.78 85.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' VAL . 43.0 mt-10 -78.35 120.24 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.72 64.82 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -31.8 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 107.16 -163.28 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.626 HG22 ' HB2' ' A' ' 29' ' ' ASN . 41.3 p -75.3 0.29 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.533 HG22 ' CG ' ' A' ' 20' ' ' LYS . 10.6 p -130.49 69.36 82.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 137.04 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.26 140.02 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.581 ' CD1' ' OG ' ' A' ' 46' ' ' SER . 24.0 m-90 -120.93 -44.59 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 49.79 30.38 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -85.98 179.87 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -145.19 124.03 12.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.695 ' CD2' HD23 ' A' ' 37' ' ' LEU . 99.0 m-85 -119.64 152.41 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 7.4 mm -124.46 141.55 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 69.5 m-85 -136.05 154.75 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -90.24 110.55 21.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 12' ' ' LEU . 14.9 t -93.71 112.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 68' ' ' GLU . 5.2 t -153.08 85.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' SER . 19.5 tt0 57.22 155.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 -54.95 2.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -69.72 111.55 5.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.644 ' C ' HD22 ' A' ' 96' ' ' LEU . 16.6 p -140.34 14.85 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.841 ' N ' HD22 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -175.59 146.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 37' ' ' LEU . 4.7 tp -102.35 142.36 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 115.0 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -104.98 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 15.3 mttp -122.24 116.14 23.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.94 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -83.76 135.44 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.944 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 76.4 m-85 -133.56 -171.11 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.508 ' OD1' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -123.26 129.54 51.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.92 -42.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 82' ' ' VAL . 10.4 m-20 -86.68 44.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 81' ' ' ASP . 72.9 t -158.07 150.5 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -92.83 133.06 11.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.498 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 20.6 p -38.17 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.4 pt-20 -107.36 54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 62.0 t0 -133.8 -59.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.68 121.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.944 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -92.06 115.96 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.94 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -42.54 -28.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.66 176.95 48.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.1 pp20? -150.48 165.59 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.818 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.41 151.26 32.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 m -107.24 113.3 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.923 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -110.27 97.68 32.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.887 ' C ' HD13 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 150.45 38.2 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.951 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -105.54 -4.41 21.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 101' ' ' VAL . 2.3 tt0 -52.81 -42.77 91.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -26.23 11.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -89.43 -7.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 10.4 m-30 -92.82 -35.14 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.6 m -85.11 -36.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.507 ' HG2' HG23 ' A' ' 101' ' ' VAL . 2.9 mm-40 -83.67 -48.41 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.99 -9.74 55.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.1 p -169.02 130.01 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 99' ' ' VAL . 5.2 mm -127.9 140.4 38.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.02 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.611 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 103.34 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.56 149.8 30.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.729 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -79.22 105.03 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CD2' HG12 ' A' ' 94' ' ' ILE . 68.2 m-85 -85.62 135.68 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -50.78 126.63 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 92' ' ' ALA . 38.4 t -112.97 113.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.444 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.04 169.38 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 15.1 tptt -140.96 88.12 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 3.8 t0 86.12 -21.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.0 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.444 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -88.43 135.97 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.459 ' CD2' HD11 ' A' ' 22' ' ' LEU . 63.3 t80 -75.2 112.74 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 9.9 mmpt? -84.93 -26.59 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 156.65 -144.55 10.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.63 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 6.3 pt-20 -133.26 148.55 51.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.593 ' HB ' HG21 ' A' ' 112' ' ' VAL . 9.7 tt -120.55 124.96 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.729 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 38.2 m95 -86.73 123.81 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.2 t -151.18 143.27 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -111.04 147.91 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.923 HD11 ' CG2' ' A' ' 94' ' ' ILE . 18.3 mt -123.46 139.88 53.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.18 95.65 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 99' ' ' VAL . 40.5 t80 -74.54 139.5 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -125.63 95.1 41.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.18 16.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 128' ' ' PHE . 18.1 Cg_endo -75.02 -172.59 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.561 1.821 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -170.34 126.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.49 -139.59 5.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 33.7 m -114.7 154.52 28.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.8 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 66' ' ' VAL . 3.9 tp -119.4 150.33 40.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.4 tt0 -129.0 120.72 26.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.672 HG21 HD22 ' A' ' 73' ' ' LEU . 52.5 t -113.35 108.21 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.4 t -98.66 104.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 HD11 HG21 ' A' ' 35' ' ' VAL . 41.9 tp -82.71 93.98 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.57 -86.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 3.5 p -149.26 -172.2 4.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -154.32 119.27 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -109.79 159.77 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.55 -167.43 19.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 118' ' ' TYR . 1.5 mm? -86.29 -159.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -81.49 -51.05 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 49.6 m-20 -108.62 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.1 117.58 14.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 26' ' ' ASP . 22.7 t70 -85.67 46.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.654 ' CE2' HD11 ' A' ' 28' ' ' LEU . 19.3 t80 -91.15 118.1 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD11 ' CE2' ' A' ' 27' ' ' PHE . 5.4 mt 66.28 60.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -130.35 124.51 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 53.75 58.27 5.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 33' ' ' PRO . 10.6 ptm -166.34 -179.4 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.714 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.3 m-20 -126.88 71.27 74.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.99 149.15 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 49.0 p90 -140.21 145.24 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 77' ' ' ILE . 60.8 t -91.67 144.47 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 37.8 tt0 -123.23 95.78 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.706 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.27 129.88 41.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.713 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.9 m -127.7 133.99 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -139.88 89.41 2.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 64.18 -86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -118.16 0.42 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.57 126.47 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -128.91 130.66 47.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -148.13 124.34 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 1.4 mtpt -100.18 165.11 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -111.22 169.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -48.52 160.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.714 HG13 ' HB3' ' A' ' 32' ' ' ASP . 3.7 t -88.68 120.48 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -68.98 85.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HG3' HG12 ' A' ' 48' ' ' VAL . 19.9 mt-10 -75.14 112.21 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.21 68.82 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.83 -31.94 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.41 -154.69 16.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.0 p -83.31 1.15 42.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -134.89 67.83 70.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.03 126.9 10.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 mt-10 -101.78 137.23 40.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -114.88 -39.84 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 48.25 32.1 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -87.8 179.53 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -147.39 119.97 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 85.8 m-85 -115.87 151.53 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.57 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -124.67 142.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 74.3 m-85 -144.35 130.5 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -66.43 129.52 40.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.507 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 94.0 t -110.79 149.85 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 p -175.75 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.33 145.88 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.42 -56.04 4.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.472 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 2.6 m -57.34 96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 110.363 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.624 ' C ' HD22 ' A' ' 96' ' ' LEU . 3.5 p -132.45 12.61 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.856 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pt-20 -178.24 144.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 38' ' ' THR . 12.2 tp -101.27 146.39 27.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 116.35 31.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -106.05 104.64 14.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 22.4 mttp -109.36 116.51 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 1.004 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -83.86 130.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.868 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 45.1 m-85 -128.24 -173.12 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 82' ' ' VAL . 52.1 t0 -125.5 128.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -37.83 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 79' ' ' ASP . 6.2 m-20 -62.01 -56.18 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.665 HG22 ' HB2' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -67.04 -168.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.673 ' C ' HG23 ' A' ' 84' ' ' THR . . . -151.76 49.0 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.673 HG23 ' C ' ' A' ' 83' ' ' GLY . 1.2 p 65.52 -55.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLY . 24.0 mt-10 -78.07 76.42 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.665 ' HB2' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.71 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.07 136.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -103.4 122.21 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.004 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -40.54 -29.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.449 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.25 176.5 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -150.11 167.81 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.708 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -154.08 154.32 33.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.9 m -111.15 114.53 27.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.861 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -111.28 97.36 35.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.893 ' C ' HD13 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.07 150.74 38.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -106.17 -3.41 21.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.664 ' O ' HG13 ' A' ' 101' ' ' VAL . 2.4 tt0 -51.65 -42.96 86.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.04 -29.58 8.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.813 HG23 HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -85.21 -4.86 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 11.0 m-30 -97.91 -30.05 12.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.3 m -93.68 -34.8 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HB2' HD11 ' A' ' 105' ' ' ILE . 11.0 mm-40 -81.8 -49.36 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.19 -6.47 50.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.462 ' O ' HD13 ' A' ' 105' ' ' ILE . 95.3 p -176.81 122.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.813 HG12 HG23 ' A' ' 99' ' ' VAL . 31.7 mm -116.22 140.17 26.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 168.08 25.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.95 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.75 148.4 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.819 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -75.9 105.36 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 122' ' ' ILE . 69.9 m-85 -83.27 140.13 32.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.17 131.6 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.708 HG22 ' HB2' ' A' ' 92' ' ' ALA . 53.9 t -119.22 112.5 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.23 169.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 44.1 tptt -143.12 89.34 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.561 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 4.5 t0 87.05 -22.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.561 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.12 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.7 138.09 31.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.803 ' HE2' HD11 ' A' ' 22' ' ' LEU . 65.0 t80 -77.36 111.61 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 7.4 mmpt? -80.12 -36.48 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 167.19 -139.94 6.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.7 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 10.8 pt-20 -135.66 148.56 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.556 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.5 tt -120.72 119.99 61.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.819 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.3 m95 -82.27 124.53 30.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 13.3 t -152.25 149.73 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.639 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -119.23 143.47 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.861 HD11 ' CG2' ' A' ' 94' ' ' ILE . 16.5 mt -116.96 134.33 54.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.12 105.56 5.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.48 ' HB2' HG13 ' A' ' 99' ' ' VAL . 29.3 t80 -87.91 141.98 28.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -129.03 93.81 35.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 173.46 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.62 -142.74 7.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 88.3 m -112.66 145.45 40.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.954 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -115.04 143.83 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.903 ' N ' HD22 ' A' ' 12' ' ' LEU . 1.8 tt0 -120.69 123.76 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.954 ' CG2' HD11 ' A' ' 12' ' ' LEU . 61.6 t -115.34 111.27 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 44.9 t -100.95 90.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.66 91.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 18' ' ' SER . 54.4 t -69.09 -86.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 57' ' ' GLU . 83.8 p -154.31 -176.33 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -140.12 157.26 45.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.21 146.89 51.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.17 158.19 14.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.671 HD21 ' CD2' ' A' ' 118' ' ' TYR . 1.1 mm? -58.95 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.31 -26.86 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.38 56.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.32 121.89 9.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.1 61.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.657 ' CD1' HD13 ' A' ' 28' ' ' LEU . 34.2 t80 -122.8 122.77 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.657 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER 64.6 76.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -157.86 124.22 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 t30 54.74 49.76 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.9 ptm -160.94 -179.21 7.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.611 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 79.9 m-20 -137.69 74.12 46.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.99 169.52 22.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.9 p90 -153.01 144.68 23.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 122' ' ' ILE . 19.7 t -90.06 141.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 9.4 tt0 -122.3 95.65 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.921 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.4 118.16 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.924 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.9 m -114.15 137.28 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 3.4 t -141.68 105.93 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.95 -95.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.41 -21.62 8.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.569 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 4.6 pt20 -91.51 125.62 36.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.733 ' HB3' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -132.75 136.04 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -133.23 122.22 23.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -110.88 165.39 11.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.08 166.48 10.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -49.72 178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.611 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 5.7 m -88.73 148.86 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.861 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -77.65 82.78 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLY . 21.5 mt-10 -64.23 128.82 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.04 73.31 0.1 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.861 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 mmt -115.92 -32.87 5.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.11 -127.13 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' LEU . 1.4 p -105.52 12.26 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.394 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 1.2 p -141.62 75.53 21.86 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.5 Cg_endo -74.95 123.69 8.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 18' ' ' SER . 9.4 tt0 -118.6 130.13 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.458 ' CH2' ' HB2' ' A' ' 56' ' ' PRO . 12.4 m-90 -109.04 -50.24 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 m120 61.95 40.75 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -98.08 -173.75 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m -147.81 126.93 12.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.616 ' CD2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -125.31 134.19 52.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.1 mm -106.77 155.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 19.6 m-85 -147.71 -178.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -122.64 100.03 6.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 t -82.4 152.9 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 p -145.75 -86.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -142.5 154.38 44.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.19 -55.3 2.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.8 m -66.32 95.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 p -123.87 27.68 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.7 OUTLIER -164.71 155.92 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 38' ' ' THR . 6.8 tp -117.46 145.23 44.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -106.63 122.92 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -117.96 104.92 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 18.1 mttp -107.2 127.61 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.724 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -86.74 137.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.049 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 96.3 m-85 -143.71 140.1 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.682 ' O ' HG12 ' A' ' 82' ' ' VAL . 32.1 t0 -65.52 167.86 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -73.63 -4.36 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.18 57.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.6 p -161.61 166.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.519 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -119.23 137.47 12.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.502 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 62.9 p -33.62 -37.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' GLY . 43.6 mt-10 -104.47 65.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 8.1 t0 -147.88 -68.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.25 123.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.049 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -102.79 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.724 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -41.39 -29.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -176.85 175.52 47.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -149.0 166.16 29.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.37 142.84 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.5 m -97.81 116.62 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.992 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.6 mt -110.38 97.81 33.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -75.0 136.07 19.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.578 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.8 mt -97.39 4.32 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -62.03 -40.68 70.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.665 ' O ' HD11 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.0 -23.51 13.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.776 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -90.6 -2.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 14.1 m-30 -100.47 -33.78 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.5 m -90.65 -29.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.87 -43.12 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.55 -12.18 66.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.569 ' O ' HD13 ' A' ' 105' ' ' ILE . 4.2 m -165.19 131.48 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 99' ' ' VAL . 42.3 mm -125.43 138.73 32.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.482 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 m -116.81 151.54 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.89 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -86.57 110.97 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' HG12 ' A' ' 94' ' ' ILE . 74.8 m-85 -88.09 126.73 35.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.2 OUTLIER -39.92 123.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.65 HG12 ' HB2' ' A' ' 119' ' ' LYS . 15.1 t -104.88 98.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -105.44 166.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.1 OUTLIER -141.99 90.63 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.562 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 3.4 t70 84.34 -22.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.12 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.4 mt-10 -86.29 135.69 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.671 ' CD2' HD21 ' A' ' 22' ' ' LEU . 33.3 t80 -77.19 110.96 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.65 ' HB2' HG12 ' A' ' 112' ' ' VAL . 10.9 mmpt? -86.5 -23.04 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.552 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 153.29 -123.7 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.53 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.9 pt-20 -156.27 159.35 38.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 35' ' ' VAL . 19.4 tt -127.07 125.07 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.89 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 34.8 m95 -88.6 123.58 33.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.481 HG23 ' C ' ' A' ' 123' ' ' TRP . 48.8 t -155.4 132.63 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.67 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -100.21 145.41 28.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.992 HD11 ' CG2' ' A' ' 94' ' ' ILE . 16.2 mt -121.37 142.99 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 m -148.26 100.01 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.518 ' HB2' HG13 ' A' ' 99' ' ' VAL . 34.5 t80 -79.66 155.83 27.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -142.26 91.33 7.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.947 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.87 128.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.16 -138.76 5.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.9 m -109.71 153.81 23.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.839 HD11 HD22 ' A' ' 96' ' ' LEU . 1.2 tp -127.06 145.64 50.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.489 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -116.68 128.45 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG11 ' HG ' ' A' ' 37' ' ' LEU . 85.9 t -118.87 107.36 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 39.0 t -99.75 90.88 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD21 ' HB ' ' A' ' 35' ' ' VAL . 22.1 tp -72.49 85.22 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 18' ' ' SER . 67.2 t -62.52 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.469 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 30.8 t -155.06 -169.4 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -155.66 139.7 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 55' ' ' THR . 4.7 mttt -123.2 144.27 49.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.4 -149.59 21.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.645 HD21 ' HE2' ' A' ' 118' ' ' TYR . 17.4 mt -113.22 -179.71 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -11.71 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.65 42.07 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.58 115.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.7 t0 -77.49 104.05 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.1 t80 -141.3 119.72 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.84 HD13 ' CG ' ' A' ' 56' ' ' PRO . 50.0 mt 71.36 35.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' MET . 4.0 t-20 -59.02 -151.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -68.32 68.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.491 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -137.71 -173.77 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.556 ' CA ' ' O ' ' A' ' 48' ' ' VAL . 18.4 m-20 -121.08 71.95 23.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.699 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.94 172.97 15.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 19.4 p90 -162.45 139.76 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.537 HG23 ' CH2' ' A' ' 58' ' ' TRP . 55.6 t -89.88 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' CB ' ' HG2' ' A' ' 45' ' ' LYS . 35.5 tt0 -128.6 98.4 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -68.57 157.09 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.749 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.6 m -153.38 134.36 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -142.04 91.13 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.26 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.26 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 p -122.75 42.39 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' CYS . 3.7 pt20 -153.45 121.79 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' HG23 ' A' ' 38' ' ' THR . 1.2 p30 -127.7 149.66 50.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -144.62 122.14 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 27.0 mtmm -104.93 155.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.476 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.08 -175.26 2.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 46' ' ' SER . 9.5 m-20 -48.0 177.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.631 ' O ' ' C ' ' A' ' 49' ' ' ALA . 27.8 m -102.98 39.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 20.08 73.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 51' ' ' GLY . 20.3 mt-10 -61.32 111.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 34.25 97.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.476 ' HG2' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -116.22 -34.38 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 55' ' ' THR . . . 102.51 76.78 1.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.52 ' C ' HG23 ' A' ' 55' ' ' THR . 16.7 p 40.75 27.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.52 HG23 ' C ' ' A' ' 54' ' ' THR . 36.9 p -157.22 73.61 4.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.84 ' CG ' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 105.33 2.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 5.2 tt0 -102.16 140.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.584 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 24.0 m-90 -121.22 -51.51 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.04 33.32 17.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -172.97 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -147.0 120.82 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CD2' HD23 ' A' ' 37' ' ' LEU . 45.7 m-85 -124.48 116.25 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 15.4 mm -83.28 146.21 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HB2' HD23 ' A' ' 12' ' ' LEU . 49.7 m-85 -137.07 126.2 24.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -67.34 120.07 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 12' ' ' LEU . 98.7 t -104.84 140.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -153.86 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.47 143.93 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.05 -41.17 3.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.409 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 6.8 m -69.23 88.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -115.36 -15.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.3 pt-20 -145.31 159.83 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 38' ' ' THR . 16.2 tp -115.08 145.18 42.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -111.06 125.49 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.75 106.87 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 7.6 mttp -105.94 126.45 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 1.008 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -84.47 142.02 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CE2' ' HA ' ' A' ' 84' ' ' THR . 87.9 m-85 -141.84 -170.83 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.489 ' HB2' HG21 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -131.96 140.95 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 22.1 tttt -42.3 -38.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 82' ' ' VAL . 2.0 m-20 -106.7 71.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.641 HG12 ' N ' ' A' ' 83' ' ' GLY . 6.1 t -153.79 -83.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.641 ' N ' HG12 ' A' ' 82' ' ' VAL . . . 123.59 130.56 3.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.599 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 21.0 p -46.72 -27.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ASP . 2.1 mt-10 -90.89 -48.79 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' GLU . 4.2 t0 -34.43 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' O ' HG11 ' A' ' 82' ' ' VAL . 34.4 t70 -174.45 156.16 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -110.47 117.6 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.008 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -48.72 -25.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.94 47.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -155.95 167.04 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.679 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.28 143.98 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.3 m -104.13 113.51 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.044 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -108.55 101.17 41.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.01 139.94 24.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.839 HD22 HD11 ' A' ' 12' ' ' LEU . 11.5 mt -99.19 10.71 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.715 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -68.83 -38.17 11.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -74.95 -25.4 12.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 96' ' ' LEU . 1.4 p -86.35 -5.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -96.02 -30.83 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.3 m -95.12 -32.54 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.14 -38.57 17.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.13 -7.11 81.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -175.14 123.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.506 HG23 ' HD2' ' A' ' 106' ' ' PRO . 37.4 mm -112.55 137.27 21.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.29 2.68 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.72 150.55 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.02 101.8 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CD2' HG12 ' A' ' 94' ' ' ILE . 73.6 m-85 -78.45 138.38 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.87 126.48 16.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 92' ' ' ALA . 24.7 t -112.58 112.41 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.458 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.86 169.86 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 34.9 tptt -141.58 88.99 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 1.9 t70 86.7 -22.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.26 -20.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.458 ' C ' HG12 ' A' ' 113' ' ' VAL . 1.2 mt-10 -88.1 138.04 31.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.241 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.645 ' HE2' HD21 ' A' ' 22' ' ' LEU . 67.9 t80 -76.89 118.01 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.423 ' HB2' HG12 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -87.94 -54.14 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . -171.66 -126.37 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.756 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 7.7 pt-20 -150.38 151.14 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.487 HG13 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tt -121.28 126.21 74.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.705 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 40.0 m95 -89.19 121.93 31.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 123' ' ' TRP . 31.4 t -152.48 140.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.629 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -112.71 139.17 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.044 HD11 ' CG2' ' A' ' 94' ' ' ILE . 6.2 mt -115.16 134.3 55.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -136.76 107.41 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -86.95 147.98 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -137.77 91.3 13.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 144.38 30.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.969 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -171.69 136.42 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.561 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.05 -145.9 12.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 30.5 m -114.27 148.62 37.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.914 HD22 ' H ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -115.6 145.91 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.914 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -122.99 121.81 37.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.876 ' CG2' HD11 ' A' ' 12' ' ' LEU . 86.8 t -111.31 111.17 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.825 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 56.3 t -100.79 88.31 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 35' ' ' VAL . 14.2 tp -69.87 92.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 18' ' ' SER . 38.3 t -68.45 -89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.565 ' N ' HG12 ' A' ' 17' ' ' VAL . 40.5 p -157.6 -177.73 6.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -137.34 148.37 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.63 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.0 mttm -130.16 152.74 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.37 172.41 19.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.772 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.9 mm? -70.36 -168.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -39.04 20.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -111.08 60.48 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.5 118.42 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' CG ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.51 -49.95 67.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.674 ' CG ' HD22 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 52.45 -127.64 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.674 HD22 ' CG ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -66.2 -3.27 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.575 ' HA ' HG22 ' A' ' 54' ' ' THR . 4.8 t-20 -32.84 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.05 72.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.453 ' SD ' ' HA ' ' A' ' 28' ' ' LEU . 7.8 mtp -147.56 178.78 8.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.664 ' HB3' HG13 ' A' ' 48' ' ' VAL . 11.5 m-20 -135.4 57.55 20.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 18.1 Cg_endo -75.03 166.95 28.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.5 p90 -149.12 134.27 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 77' ' ' ILE . 47.5 t -87.87 145.34 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -125.16 94.31 4.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -63.89 131.07 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.769 ' O ' HD12 ' A' ' 73' ' ' LEU . 64.7 m -128.59 138.78 52.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 70' ' ' THR . 42.1 t -142.69 115.18 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 55.92 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 47.9 p -136.79 37.89 2.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.488 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 2.8 pt20 -139.28 113.89 9.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 1.2 p-10 -111.27 154.01 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -152.71 121.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 5.1 mtmt -90.11 156.93 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -111.01 161.95 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -48.34 156.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 32' ' ' ASP . 6.0 t -81.14 128.8 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -70.37 76.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -68.98 121.83 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.83 77.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.693 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 12.2 mmt -115.45 -31.76 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 -144.22 16.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.575 HG22 ' HA ' ' A' ' 29' ' ' ASN . 9.1 p -85.61 9.1 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.63 HG22 ' CG ' ' A' ' 20' ' ' LYS . 16.7 p -140.99 81.53 16.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.548 ' O ' ' CZ3' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.03 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 5.5 tt0 -94.31 150.26 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 22.2 m-90 -126.33 -51.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 25.2 m-20 61.35 38.52 16.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.39 -173.86 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 m -151.7 121.78 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.767 ' CG ' HD23 ' A' ' 37' ' ' LEU . 34.4 m-85 -118.52 143.39 46.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.5 mm -114.66 147.82 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.649 ' HD2' HD12 ' A' ' 12' ' ' LEU . 34.7 m-85 -140.74 164.36 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 109.27 21.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.2 145.07 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -145.85 -67.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' NH1' ' A' ' 40' ' ' ARG . 8.4 pt-20 -161.89 151.12 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.78 -54.66 4.36 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' SG ' ' A' ' 39' ' ' CYS . 1.6 m -69.93 107.12 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 p -127.58 17.92 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.24 158.13 18.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 38' ' ' THR . 5.9 tp -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -103.03 123.4 46.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -119.8 110.78 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 27.2 mttp -114.75 137.61 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.665 HG22 ' CG1' ' A' ' 89' ' ' VAL . 4.8 mp -101.75 134.28 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 89.9 m-85 -137.4 146.41 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.881 ' HB3' HG13 ' A' ' 82' ' ' VAL . 41.7 t0 -76.74 135.67 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -46.67 -24.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -78.35 -40.0 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.2 m -84.6 -176.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -130.83 151.58 19.64 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 24.4 p -38.23 -32.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.1 pt-20 -118.64 84.42 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.92 -71.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -158.89 86.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -51.0 151.13 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.665 ' CG1' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -100.63 -10.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.531 ' O ' HD12 ' A' ' 77' ' ' ILE . . . 169.02 156.81 10.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.471 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -147.32 161.37 41.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.655 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.51 145.16 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 m -98.61 116.23 30.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.909 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.7 mt -109.49 99.61 37.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.29 18.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 8.9 mt -97.16 7.84 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.684 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -64.73 -39.6 40.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.03 -26.03 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -86.56 -1.75 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.8 m-30 -101.75 -30.76 11.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.7 m -95.21 -29.34 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.98 -46.92 8.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.35 -13.86 56.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -169.58 124.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 99' ' ' VAL . 36.5 mm -114.29 139.08 23.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 168.89 23.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 101.91 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -113.92 150.94 32.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.831 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.61 102.36 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.492 ' O ' HG23 ' A' ' 112' ' ' VAL . 74.6 m-85 -79.81 134.16 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -48.32 124.05 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.657 HG12 ' HB2' ' A' ' 119' ' ' LYS . 51.9 t -109.76 115.02 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -117.76 168.25 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 8.1 tppt? -147.96 89.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 8.7 t0 89.16 -25.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.51 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -83.94 136.1 34.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.772 ' HE2' HD11 ' A' ' 22' ' ' LEU . 81.7 t80 -77.72 97.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.657 ' HB2' HG12 ' A' ' 112' ' ' VAL . 6.1 mmtt -61.35 -45.23 95.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.467 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 169.78 -126.78 1.4 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.831 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 9.4 pt-20 -145.73 143.19 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.586 ' HB ' HG21 ' A' ' 112' ' ' VAL . 4.8 tt -114.28 123.12 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.745 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 45.2 m95 -85.77 122.84 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 123' ' ' TRP . 26.0 t -153.12 139.27 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.825 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -109.07 139.57 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.909 HD11 ' CG2' ' A' ' 94' ' ' ILE . 12.3 mt -114.61 133.86 55.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.74 108.83 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.46 ' HB2' HG13 ' A' ' 99' ' ' VAL . 32.4 t80 -90.74 154.98 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -139.71 90.98 10.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 142.2 27.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -172.8 134.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.4 -146.05 12.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.588 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 24.2 m -114.54 148.93 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.936 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -116.26 144.51 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.886 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -121.79 122.45 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.936 ' CG2' HD11 ' A' ' 12' ' ' LEU . 57.9 t -112.17 112.57 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.91 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.5 t -102.07 87.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.7 HD11 HG21 ' A' ' 35' ' ' VAL . 17.7 tp -69.95 91.96 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 18' ' ' SER . 72.1 t -70.68 -92.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.495 ' N ' HG12 ' A' ' 17' ' ' VAL . 5.6 p -148.66 -173.99 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -145.24 145.91 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG2' HG22 ' A' ' 55' ' ' THR . 6.5 mttt -133.49 144.19 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.29 -172.19 43.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 118' ' ' TYR . 2.4 mm? -69.35 -169.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -69.22 -47.79 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 5.7 t70 -126.02 57.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -127.76 107.93 10.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.53 78.32 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.851 ' CE2' HD11 ' A' ' 28' ' ' LEU . 18.4 t80 -120.08 112.1 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.851 HD11 ' CE2' ' A' ' 27' ' ' PHE . 7.4 mt 78.51 56.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.47 ' HB2' HG22 ' A' ' 54' ' ' THR . 40.6 t-20 -138.76 135.38 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 70.67 26.46 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 ptm -151.84 -175.35 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.595 ' HB3' HG23 ' A' ' 48' ' ' VAL . 18.4 m-20 -135.03 73.07 66.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -75.03 156.04 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.679 ' CD2' ' CD ' ' A' ' 45' ' ' LYS . 30.5 p90 -136.74 145.64 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 16' ' ' LEU . 38.1 t -91.21 142.43 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -126.96 106.78 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.786 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -80.83 144.38 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.928 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -133.87 141.24 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -142.49 87.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.784 ' C ' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER 31.88 97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.784 HG23 ' C ' ' A' ' 40' ' ' ARG . 1.4 p 75.09 -22.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' A' ' 40' ' ' ARG . 34.6 mt-30 -91.21 139.23 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.07 128.75 15.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.582 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 48.6 mt-30 -139.81 120.38 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.679 ' CD ' ' CD2' ' A' ' 34' ' ' TYR . 6.4 ttpp -120.08 156.87 30.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -110.84 166.48 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -49.51 178.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 32' ' ' ASP . 2.4 m -90.13 140.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -74.93 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 1.8 mm-40 -91.09 141.27 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.72 57.66 3.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.431 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 9.7 mmt -116.35 -32.85 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.45 -148.7 19.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 29' ' ' ASN . 1.4 p -81.42 6.86 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 20' ' ' LYS . 27.4 p -135.94 80.6 41.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.01 135.48 19.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' VAL . 11.8 tt0 -118.07 173.18 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.702 ' C ' ' ND2' ' A' ' 59' ' ' ASN . 22.6 m-90 -156.48 -38.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.702 ' ND2' ' C ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER 47.25 33.25 2.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 8.2 mm-40 -90.52 166.18 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -135.05 122.21 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.664 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.6 m-85 -116.4 147.44 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -118.27 142.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 37.0 m-85 -132.28 -172.31 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -128.53 123.89 34.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.7 t -106.63 147.85 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.3 p -157.53 -72.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -145.73 138.43 25.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.41 -54.13 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.7 m -60.79 100.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 p -131.74 6.96 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.6 153.13 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.928 HD12 ' O ' ' A' ' 38' ' ' THR . 5.7 tp -112.21 143.08 43.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -104.94 129.51 53.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 106.18 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 29.6 mttp -110.01 123.17 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.741 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.1 mp -85.07 139.45 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.093 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.5 m-85 -143.68 144.08 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -76.18 136.29 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 32' ' ' ASP . 4.7 ptmt -41.44 -34.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 2.1 t0 -90.27 45.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 85.6 t -157.52 152.43 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -102.16 138.41 13.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 10.2 p -36.9 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' GLY . 39.3 mt-10 -109.66 61.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.6 t0 -141.73 -72.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.08 118.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.093 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -91.35 115.32 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.741 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -43.78 -27.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.84 173.77 46.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -148.75 166.89 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.721 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.97 140.56 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -96.46 115.98 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.054 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.5 mt -109.29 99.67 37.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.621 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 11.6 mt -97.31 7.63 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.686 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.1 tt0 -65.1 -39.5 37.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 96' ' ' LEU . 1.3 p -79.66 -8.63 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 16.5 m-30 -96.05 -30.08 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.2 m -93.36 -33.44 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.2 mm-40 -86.57 -33.63 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.91 -8.4 76.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.1 p -175.96 131.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 3.9 mm -125.62 140.13 35.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 173.27 14.79 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 102.83 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.01 151.7 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.885 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.26 110.2 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 112' ' ' VAL . 70.5 m-85 -87.2 136.69 32.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.12 120.24 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 92' ' ' ALA . 27.5 t -107.59 110.36 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.46 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.04 169.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 5.6 tptp -143.55 89.18 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.2 t70 86.61 -22.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.13 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.46 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -88.42 138.33 31.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.669 ' CE2' HD11 ' A' ' 22' ' ' LEU . 53.0 t80 -77.27 113.07 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.515 ' HB2' HG12 ' A' ' 112' ' ' VAL . 5.3 mmpt? -83.58 -30.65 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.565 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 161.06 -137.62 5.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.885 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.1 pt-20 -138.95 148.56 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.564 ' HB ' HG21 ' A' ' 112' ' ' VAL . 7.9 tt -118.77 123.7 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.654 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 42.7 m95 -86.34 123.32 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.439 HG23 ' C ' ' A' ' 123' ' ' TRP . 30.1 t -153.33 134.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.91 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -101.7 143.4 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.054 HD11 ' CG2' ' A' ' 94' ' ' ILE . 51.5 mt -120.2 135.56 54.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.72 103.47 4.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.496 ' HB2' HG13 ' A' ' 99' ' ' VAL . 32.6 t80 -86.37 153.4 21.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -138.69 90.4 12.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.13 38.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.03 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -168.39 141.1 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.05 -164.04 28.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.407 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -102.32 155.76 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.368 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.968 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -114.19 139.78 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.603 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -126.31 109.46 12.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.994 HG21 HD22 ' A' ' 73' ' ' LEU . 30.1 t -98.28 141.23 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 77.4 t -128.84 92.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ASN . 53.1 tp -67.25 94.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.687 HG21 ' HB3' ' A' ' 107' ' ' PRO . 93.7 t -74.33 -86.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.452 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 2.0 p -144.51 -178.06 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.575 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -150.4 118.27 6.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.86 ' HG3' HG22 ' A' ' 55' ' ' THR . 1.3 mttt -97.64 144.01 27.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.82 -153.5 24.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.888 HD11 ' CD2' ' A' ' 118' ' ' TYR . 95.7 mt -119.53 -173.96 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -17.4 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 12.0 t70 -124.76 50.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . . . -166.18 99.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -54.2 90.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ALA . 21.8 t80 -143.73 121.58 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' CG ' ' A' ' 33' ' ' PRO . 14.3 mt 64.26 53.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 31' ' ' MET . 29.2 t-20 -124.89 119.62 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 44.06 66.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.529 ' CE ' ' OD1' ' A' ' 79' ' ' ASP . 10.4 ptm -162.3 -174.62 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.71 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.5 m-20 -127.65 71.16 77.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.603 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 137.92 22.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 42.8 p90 -130.7 138.36 49.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG22 HG13 ' A' ' 77' ' ' ILE . 95.3 t -91.3 151.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 35.4 tt0 -131.32 99.28 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.876 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -65.91 135.43 54.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.73 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.1 m -128.04 135.89 50.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.617 ' SG ' HG21 ' A' ' 70' ' ' THR . 49.0 t -141.06 97.52 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.39 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' CYS . 11.6 p -134.92 9.29 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -100.43 114.39 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 132.46 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -147.48 123.14 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 12.5 mtpt -94.97 163.22 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -112.34 168.21 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.11 151.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.71 HG13 ' HB3' ' A' ' 32' ' ' ASP . 5.0 t -81.46 115.45 24.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -65.87 84.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG3' HG12 ' A' ' 48' ' ' VAL . 29.8 mt-10 -73.37 122.38 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.18 75.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.474 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 8.8 mmt -115.1 -32.05 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.04 -143.3 15.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 28' ' ' LEU . 69.7 p -99.13 18.08 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.86 HG22 ' HG3' ' A' ' 20' ' ' LYS . 2.4 p -150.02 65.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.02 144.85 30.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.452 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 51.8 mp0 -119.66 140.7 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.438 ' CE3' ' HG ' ' A' ' 16' ' ' LEU . 24.2 m-90 -120.95 -43.62 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 51.31 27.38 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 20.3 mm-40 -85.31 174.28 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.0 m -137.85 134.37 35.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.876 ' CD2' HD23 ' A' ' 37' ' ' LEU . 67.5 m-85 -133.56 130.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.2 mm -101.66 146.58 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 39' ' ' CYS . 65.1 m-85 -148.39 122.23 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -63.29 137.75 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.2 t -121.85 158.83 25.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -161.17 -55.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -169.55 157.31 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.4 -53.25 4.45 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.617 HG21 ' SG ' ' A' ' 39' ' ' CYS . 1.3 m -77.72 110.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.2 p -137.57 10.37 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 4.4 pt-20 -154.4 137.09 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.994 HD22 HG21 ' A' ' 14' ' ' VAL . 7.3 tp -95.23 143.01 26.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 118.98 37.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.37 100.29 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.0 mttp -99.66 120.39 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.98 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -88.25 134.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.19 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 97.6 m-85 -133.61 -153.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 82' ' ' VAL . 4.1 m-20 -150.1 129.81 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HD2' HG11 ' A' ' 48' ' ' VAL . 1.6 pttt -46.31 -23.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 76.3 m-20 -78.05 -43.36 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.764 HG23 ' N ' ' A' ' 83' ' ' GLY . 3.8 m -79.19 -142.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.764 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -165.02 153.62 23.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 61.4 p -39.03 -65.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 86' ' ' ASP . 12.5 pt-20 -66.89 -53.77 28.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' A' ' 85' ' ' GLU . 2.5 m-20 -24.32 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -172.45 139.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.19 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -103.78 128.66 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.98 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -51.74 -22.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.24 -177.46 44.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -152.7 170.11 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.796 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.78 154.78 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.5 m -110.77 111.73 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.6 HG22 HD11 ' A' ' 126' ' ' LEU . 3.6 mt -108.79 100.27 38.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -74.96 134.89 18.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.633 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -97.56 15.18 24.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.791 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 0.8 OUTLIER -74.23 -32.92 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 -25.53 11.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.911 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.5 -25.83 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 8.0 m-30 -66.49 -32.98 74.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.3 m -94.99 -51.31 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.525 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.5 mm-40 -66.4 -43.89 84.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.77 -11.38 66.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 p -167.22 129.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.911 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.5 mm -129.22 140.28 38.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.687 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 109.1 2.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.545 1.813 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.06 143.88 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.859 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -70.92 100.98 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.522 ' CD2' HG12 ' A' ' 94' ' ' ILE . 51.4 m-85 -85.88 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.42 128.65 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.5 t -112.23 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.546 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -109.48 166.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.96 96.09 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 21.6 t0 85.21 -27.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 157.69 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.546 ' C ' HG12 ' A' ' 113' ' ' VAL . 2.6 mm-40 -87.36 152.55 22.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.888 ' CD2' HD11 ' A' ' 22' ' ' LEU . 81.8 t80 -90.06 119.24 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -90.84 -46.59 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -178.53 -135.8 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.437 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 8.3 pt-20 -141.15 156.71 45.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.575 HG13 ' HB2' ' A' ' 19' ' ' ALA . 14.6 tt -128.19 121.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.859 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 35.3 m95 -85.9 116.59 24.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.03 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.9 t -142.35 143.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.488 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -124.82 136.31 53.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.799 HD23 HG22 ' A' ' 14' ' ' VAL . 1.7 mt -109.69 159.32 17.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.98 73.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 46.1 t80 -50.31 149.56 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.72 92.17 27.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.496 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.5 OUTLIER 175.21 150.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' CD2' ' A' ' 9' ' ' HIS . . . 146.2 -153.19 25.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.43 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.5 m -100.9 156.25 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 96' ' ' LEU . 3.1 tp -127.8 136.84 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -113.76 107.47 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.63 HG11 HD22 ' A' ' 37' ' ' LEU . 79.9 t -96.71 117.0 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.43 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD21 ' HB ' ' A' ' 35' ' ' VAL . 56.7 tp -69.21 86.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.66 HG21 ' CB ' ' A' ' 107' ' ' PRO . 68.0 t -60.83 -90.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' HG12 ' A' ' 17' ' ' VAL . 80.5 p -156.17 -176.41 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -149.37 157.68 43.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.794 ' CB ' HG22 ' A' ' 55' ' ' THR . 1.0 OUTLIER -150.85 148.63 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.47 -169.13 35.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.782 HD11 ' HE2' ' A' ' 118' ' ' TYR . 1.6 mm? -83.85 -164.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.4 pt-20 -72.82 -52.5 14.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 40.2 t0 -111.47 61.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.39 106.17 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.72 62.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.64 ' CD1' HD13 ' A' ' 28' ' ' LEU . 28.5 t80 -121.63 128.78 52.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.64 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER 65.83 18.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -59.96 -146.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.43 74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' ASN . 8.9 ptm -154.92 -178.23 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.9 m-20 -131.35 67.33 80.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.98 154.96 42.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 38.2 p90 -133.08 147.42 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.915 HG22 HG13 ' A' ' 77' ' ' ILE . 34.5 t -92.3 147.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 31.2 tt0 -127.57 96.42 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.942 HD22 HD21 ' A' ' 73' ' ' LEU . 15.8 mt -63.15 154.05 32.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 42' ' ' GLN . 2.4 m -155.69 123.18 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -142.57 85.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 108.319 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.0 OUTLIER 55.86 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.1 t 33.42 40.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 38' ' ' THR . 11.6 mt-30 -135.74 144.76 46.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 2.0 p30 -149.53 126.34 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' LEU . 74.1 mt-30 -143.03 122.07 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 15.4 mtmm -104.11 158.14 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.35 169.24 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -48.61 147.55 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 24.0 t -71.65 122.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -63.73 78.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' VAL . 28.2 mt-10 -73.81 121.67 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.7 69.05 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -109.55 -32.33 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.036 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 104.52 -169.33 17.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 0.735 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.794 HG22 ' CB ' ' A' ' 20' ' ' LYS . 3.0 p -127.99 72.72 79.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.467 ' HD2' HD23 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 129.3 12.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.75 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -111.07 139.49 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.77 -42.76 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m120 47.1 32.69 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -171.85 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -149.95 127.47 11.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.764 ' CD2' HD11 ' A' ' 37' ' ' LEU . 80.6 m-85 -130.95 129.16 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.503 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.5 mm -98.36 140.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' HB2' HD23 ' A' ' 12' ' ' LEU . 40.5 m-85 -135.46 124.79 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -67.07 119.53 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 16.5 t -106.7 147.25 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -178.47 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -168.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.891 ' O ' HG23 ' A' ' 71' ' ' THR . . . -58.71 -15.63 27.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 m -38.99 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 69' ' ' GLY . 11.9 p -125.86 27.1 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.7 OUTLIER -168.35 153.66 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.942 HD21 HD22 ' A' ' 37' ' ' LEU . 27.7 tp -114.16 146.59 40.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 113.1 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.01 105.96 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 14.6 mttp -108.51 136.63 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.915 HG13 HG22 ' A' ' 35' ' ' VAL . 5.2 mp -104.11 133.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.923 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 77.4 m-85 -132.69 -171.53 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' VAL . 5.4 t70 -116.17 132.08 56.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.27 -36.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 82' ' ' VAL . 1.6 t0 -92.24 45.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 81' ' ' ASP . 68.9 t -157.68 153.26 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -99.5 135.99 12.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.44 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 15.8 p -38.07 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.392 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 55.1 mt-10 -106.82 56.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 20.8 t0 -136.8 -67.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -174.41 114.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.923 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -85.43 135.68 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.892 ' CG2' HG22 ' A' ' 77' ' ' ILE . 2.0 m -60.47 -38.92 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.406 ' HA2' ' CE ' ' A' ' 114' ' ' LYS . . . -163.73 169.25 38.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.86 161.0 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.256 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.38 155.24 39.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 m -112.29 111.65 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.018 HG22 HD11 ' A' ' 126' ' ' LEU . 2.6 mp -105.99 104.06 47.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -74.95 137.48 21.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 4.8 mt -96.81 14.91 23.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.797 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -73.38 -32.56 1.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -27.43 10.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.896 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.48 -25.21 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.693 ' HE2' HG22 ' A' ' 71' ' ' THR . 6.3 m-30 -67.51 -22.69 65.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.8 m -106.77 -45.44 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.9 mm-40 -75.78 -36.3 59.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 86.33 -9.35 70.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.2 p -164.86 126.45 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.896 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.7 mm -130.17 140.95 40.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.66 ' CB ' HG21 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.04 112.36 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.76 144.5 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.752 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -71.16 96.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 94' ' ' ILE . 50.2 m-85 -79.01 138.99 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.33 121.8 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.707 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.3 t -108.71 111.75 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.28 173.48 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 14.7 tppt? -154.03 91.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.606 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.6 t0 90.4 -27.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER 157.33 -21.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.78 151.01 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.782 ' HE2' HD11 ' A' ' 22' ' ' LEU . 63.9 t80 -86.64 106.98 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB2' HG12 ' A' ' 112' ' ' VAL . 4.7 mmpt? -74.7 -43.12 56.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.4 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 170.96 -141.75 6.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.752 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.7 pt-20 -131.98 153.01 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 19' ' ' ALA . 7.7 tt -129.19 124.64 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.498 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 34.9 m95 -86.26 126.44 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 6.2 t -151.81 132.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.526 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -116.91 133.7 55.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.018 HD11 HG22 ' A' ' 94' ' ' ILE . 5.5 mt -107.3 152.95 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -142.39 63.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 65.6 t80 -55.72 138.02 48.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -126.49 96.4 36.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 143.25 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.97 -166.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -173.34 128.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.74 -156.52 27.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 3.4 m -105.74 153.51 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.921 HD11 HG23 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -114.03 144.59 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.777 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.7 tt0 -126.82 107.19 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.974 HG21 HD22 ' A' ' 73' ' ' LEU . 20.5 t -97.33 123.77 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.86 89.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.729 HD11 HG21 ' A' ' 35' ' ' VAL . 30.0 tp -65.96 92.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.642 HG21 ' HB3' ' A' ' 107' ' ' PRO . 25.0 t -67.76 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.588 ' N ' HG12 ' A' ' 17' ' ' VAL . 91.3 p -152.12 -173.23 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 148.06 28.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -135.41 152.72 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.74 -175.53 23.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? -73.03 -165.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -41.03 13.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -128.99 58.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -133.08 112.2 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.11 85.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.784 ' CE1' HD13 ' A' ' 28' ' ' LEU . 23.3 t80 -150.6 126.34 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.784 HD13 ' CE1' ' A' ' 27' ' ' PHE . 1.8 mp 67.58 19.95 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' MET . 3.0 t-20 -59.58 -146.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -61.13 82.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' ASN . 3.4 ptm -162.73 177.96 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 41.7 m-20 -130.22 69.12 81.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -75.0 150.68 38.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 27.6 p90 -126.17 150.71 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 16' ' ' LEU . 60.7 t -90.64 146.61 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 30.9 tt0 -122.81 95.93 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.888 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.85 131.1 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.621 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.3 m -134.06 135.09 43.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -142.43 107.25 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.308 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.54 -84.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.52 13.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.506 ' NE2' ' HB3' ' A' ' 39' ' ' CYS . 2.0 pt20 -108.12 117.2 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 3.1 p-10 -103.47 151.52 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 37' ' ' LEU . 70.5 mt-30 -158.33 123.05 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' CD ' ' CE1' ' A' ' 34' ' ' TYR . 22.2 mtmt -104.73 160.79 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.72 170.51 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -48.58 156.41 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.6 t -81.91 123.11 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -62.68 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' VAL . 22.7 mt-10 -74.42 129.52 37.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.53 72.59 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.513 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 6.7 mmt -116.76 -31.18 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 94.44 -146.38 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -84.63 15.15 3.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.415 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.578 HG22 ' CG ' ' A' ' 20' ' ' LYS . 3.0 p -144.02 78.76 13.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 141.35 26.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 41.8 mp0 -120.91 172.47 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 23.4 m-90 -158.17 -46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 47.44 28.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.79 -178.24 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.5 m -143.59 127.23 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.724 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 87.8 m-85 -126.67 135.02 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.5 mm -105.16 145.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' HB2' HD12 ' A' ' 12' ' ' LEU . 82.3 m-85 -146.57 126.15 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -61.93 139.09 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.609 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 6.9 t -127.58 137.0 58.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -140.59 -60.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.045 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -165.34 151.7 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.1 -58.12 4.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -66.14 108.62 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 p -135.96 19.9 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.7 pt-20 -164.74 145.88 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.974 HD22 HG21 ' A' ' 14' ' ' VAL . 6.4 tp -108.36 141.59 39.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -103.78 118.17 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.47 104.84 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.612 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 37.0 mttp -102.95 124.09 47.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.943 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -84.65 131.22 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.088 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 81.2 m-85 -137.51 150.99 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.819 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -73.14 159.58 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.71 -7.54 34.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -124.02 60.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.3 p -161.83 168.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.549 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -117.67 137.28 13.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLY . 19.7 p -36.31 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' GLY . 51.9 mt-10 -107.76 65.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 60.7 t0 -147.85 -68.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.95 120.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.088 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -95.65 116.98 29.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.943 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -39.38 -30.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.07 172.14 45.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -147.53 164.3 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.853 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.26 155.75 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 26.3 m -108.63 114.5 28.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.759 HG22 HD11 ' A' ' 126' ' ' LEU . 2.9 mt -108.73 100.26 38.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.03 133.82 17.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.658 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 1.3 mt -98.7 13.63 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.815 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -76.31 -31.17 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.03 -27.58 9.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.841 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -84.98 -40.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 128' ' ' PHE . 14.8 m-30 -60.61 -22.95 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.2 t -92.41 -59.2 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.67 -53.5 27.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.8 -16.76 13.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -165.37 117.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.841 ' CG1' HG13 ' A' ' 99' ' ' VAL . 5.0 mm -114.76 140.85 25.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.07 173.76 13.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.645 ' N ' ' HB2' ' A' ' 125' ' ' ALA . 18.1 Cg_endo -75.0 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.56 143.45 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.853 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -74.6 95.51 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CD2' HG12 ' A' ' 94' ' ' ILE . 56.5 m-85 -76.52 133.39 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -47.4 118.71 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 92' ' ' ALA . 22.5 t -106.37 111.9 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.452 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.83 169.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 36.7 tptt -142.22 88.93 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 8.7 t0 86.78 -22.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.43 -20.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.452 ' C ' HG12 ' A' ' 113' ' ' VAL . 4.8 mt-10 -88.71 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 52.4 t80 -74.72 113.03 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HB2' HG12 ' A' ' 112' ' ' VAL . 7.8 mmpt? -84.84 -32.74 23.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 164.07 -131.66 2.5 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.853 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 2.0 pm0 -148.73 152.79 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 92' ' ' ALA . 4.7 tt -121.79 130.72 74.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.616 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 40.9 m95 -92.45 114.89 27.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.2 t -143.47 130.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.645 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -111.47 133.98 53.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.759 HD11 HG22 ' A' ' 94' ' ' ILE . 4.7 mt -106.1 155.6 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.17 79.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 32.9 t80 -55.95 156.32 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -139.99 90.57 10.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 130.97 13.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -165.4 136.34 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.93 -125.51 1.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.505 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 96.8 m -136.05 144.32 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.028 HD11 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -107.74 143.08 36.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.879 ' N ' HD22 ' A' ' 12' ' ' LEU . 2.6 tt0 -125.8 110.24 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.028 HG23 HD11 ' A' ' 12' ' ' LEU . 36.3 t -102.45 118.2 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.737 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 58.9 t -105.87 91.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 11.7 tp -71.89 93.43 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 107' ' ' PRO . 59.9 t -72.35 -81.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -151.11 -157.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -158.01 124.29 4.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.766 ' HG3' HG22 ' A' ' 55' ' ' THR . 1.4 mtpt -95.91 156.92 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.49 -140.43 7.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -163.13 -163.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.43 -26.63 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.509 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t0 -99.87 45.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.992 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . 178.38 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.18 103.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 28' ' ' LEU . 33.0 t80 -150.77 133.54 15.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 61.36 78.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.2 122.78 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 t30 49.83 62.07 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.3 ptm -166.07 175.08 8.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 49.0 m-20 -128.48 69.09 78.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.5 Cg_endo -74.94 165.22 31.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 36.9 p90 -147.85 146.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 77.6 t -91.25 136.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 45' ' ' LYS . 2.2 tt0 -125.2 101.92 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -70.01 139.1 52.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.3 m -133.5 128.29 35.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.9 90.24 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 62.79 -90.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -112.78 -2.27 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -94.71 122.48 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -126.75 133.75 50.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 54.6 mt-30 -155.83 122.69 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -124.45 168.84 12.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.55 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -55.29 179.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 2.8 m -91.86 140.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.847 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -75.67 86.66 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 18.1 mt-10 -65.58 120.73 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.78 76.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.847 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 10.4 mmt -116.22 -32.51 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.37 -144.6 16.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 28' ' ' LEU . 6.7 p -93.08 23.27 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.766 HG22 ' HG3' ' A' ' 20' ' ' LYS . 1.1 p -153.42 69.03 6.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.473 ' CD ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 126.21 9.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.15 146.58 36.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -128.38 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 61.56 41.76 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.79 178.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -142.72 124.03 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 37' ' ' LEU . 82.5 m-85 -124.13 133.08 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.505 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 3.8 mm -104.53 145.53 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.671 ' HB2' HD12 ' A' ' 12' ' ' LEU . 60.2 m-85 -143.29 122.76 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -61.72 126.38 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 17.0 t -110.12 147.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -161.7 -67.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -147.26 144.12 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.83 -52.13 4.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.502 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 4.5 m -57.81 100.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -136.59 15.18 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -173.44 146.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.0 HD22 HG21 ' A' ' 14' ' ' VAL . 10.3 tp -107.11 143.51 35.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -104.91 119.87 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.51 104.19 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mttp -103.04 137.63 40.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.951 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -107.27 140.21 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.001 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 70.4 m-85 -141.07 -166.62 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 3.0 t70 -119.03 138.12 53.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 5.3 ptmt -40.99 -42.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' C ' HG23 ' A' ' 82' ' ' VAL . 14.8 t0 -88.42 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.492 HG23 ' C ' ' A' ' 81' ' ' ASP . 97.6 t -157.09 150.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -101.34 138.22 13.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' GLY . 12.8 p -36.62 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' GLY . 2.2 pt-20 -107.07 60.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 64.6 t0 -142.77 -68.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -165.84 113.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 1.001 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -91.12 111.74 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.951 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -39.57 -29.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.91 -175.12 45.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' VAL . 12.7 pm0 -160.01 166.41 30.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.718 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.26 148.36 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.4 m -103.8 114.45 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.885 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -108.58 100.44 38.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.58 20.54 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.559 1.82 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.624 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 5.0 mt -99.16 11.91 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.737 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -72.32 -36.19 3.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.58 7.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.603 HG23 HG12 ' A' ' 105' ' ' ILE . 2.0 p -79.09 -29.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 17.8 m-30 -76.94 -20.26 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 t -95.77 -43.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.77 -34.15 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 92.46 -13.0 68.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.476 ' O ' HD13 ' A' ' 105' ' ' ILE . 35.5 p -159.89 137.88 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.603 HG12 HG23 ' A' ' 99' ' ' VAL . 22.2 mm -137.17 131.32 17.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.22 13.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.03 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -110.54 152.96 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.624 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -83.36 100.53 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 57.6 m-85 -82.52 132.74 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -52.62 122.12 8.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.718 HG22 ' HB2' ' A' ' 92' ' ' ALA . 44.8 t -106.04 116.26 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -118.54 170.85 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 21.8 tptt -139.51 89.98 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.71 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 11.2 m-20 80.99 -19.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.554 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.63 -21.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 114' ' ' LYS . 5.3 mt-10 -88.69 138.96 30.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.609 ' CE2' HD13 ' A' ' 22' ' ' LEU . 46.7 t80 -80.0 117.69 21.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.15 -34.48 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.571 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 168.59 -134.9 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' LYS . 12.5 pt-20 -142.67 152.61 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.573 HG13 ' HB2' ' A' ' 19' ' ' ALA . 16.0 tt -123.96 137.05 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.624 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.6 m95 -102.79 124.11 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.45 HG23 ' C ' ' A' ' 123' ' ' TRP . 42.1 t -153.52 134.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.737 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -104.38 146.86 28.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.885 HD11 ' CG2' ' A' ' 94' ' ' ILE . 3.3 mt -124.46 136.34 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.4 m -143.08 98.37 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' A' ' 100' ' ' PHE . 31.3 t80 -74.35 156.81 36.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -140.49 90.36 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.12 28.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -149.17 134.64 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -102.73 169.71 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.36 -65.21 0.21 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 p -40.79 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -98.93 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.14 177.1 17.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.0 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -171.79 125.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.34 -147.96 12.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.597 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 35.8 m -101.48 149.08 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.953 HD11 HD22 ' A' ' 96' ' ' LEU . 2.0 tp -123.94 148.37 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' CD1' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.33 147.72 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.703 HG11 ' HG ' ' A' ' 37' ' ' LEU . 47.3 t -141.9 100.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.837 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 38.5 t -94.69 105.59 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.802 HD11 HG21 ' A' ' 35' ' ' VAL . 24.2 tp -84.84 91.39 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' CB ' ' A' ' 107' ' ' PRO . 56.7 t -67.93 -87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 28.1 p -153.91 -174.33 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -147.39 124.17 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.2 mttt -109.41 151.3 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.09 179.37 22.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.553 HD11 ' HE2' ' A' ' 118' ' ' TYR . 3.0 mm? -70.32 -169.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -39.71 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -117.78 61.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.01 120.98 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -82.88 51.99 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 14.6 t80 -96.67 120.87 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 4.7 mt 63.62 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -127.68 124.74 38.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 55.87 58.55 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 8.9 ptm -165.86 -177.04 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.715 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.9 m-20 -130.76 67.96 81.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -74.98 150.36 38.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 45.3 p90 -135.57 150.8 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.802 HG21 HD11 ' A' ' 16' ' ' LEU . 88.2 t -92.88 148.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -135.05 109.1 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -80.32 165.72 22.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 37' ' ' LEU . 1.3 m -155.58 119.98 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -142.39 98.58 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 60.97 88.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ARG . 27.3 p 34.04 33.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.83 112.18 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.82 166.71 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 69.5 mt-30 -157.76 121.88 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 158.66 20.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.16 175.75 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.064 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -48.51 158.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.715 HG13 ' HB3' ' A' ' 32' ' ' ASP . 4.4 t -90.42 113.14 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -61.35 84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HG3' HG12 ' A' ' 48' ' ' VAL . 23.1 mt-10 -74.87 117.51 16.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 34.92 68.31 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.2 -30.8 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.021 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 109.33 -157.43 15.12 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.107 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 p -79.42 4.33 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 0.731 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 20' ' ' LYS . 11.6 p -136.06 67.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.99 122.37 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 6.4 mt-10 -96.38 179.63 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 21.2 m-90 -157.13 -45.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m120 52.5 35.81 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -93.13 -178.33 4.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -153.36 127.39 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.8 m-85 -122.69 124.73 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.597 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 23.3 mm -99.53 132.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 67.8 m-85 -125.15 162.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -108.68 105.69 15.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 21.4 t -81.58 147.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.42 ' HB2' ' NH2' ' A' ' 40' ' ' ARG . 1.1 m -165.94 67.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.49 161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.84 -55.66 4.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 119.99 23.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.8 p -135.6 13.01 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.3 pt-20 -160.88 149.57 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 37' ' ' LEU . 5.5 tp -106.99 142.58 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -107.53 129.12 55.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.19 113.23 16.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 19.6 mttp -114.52 139.04 49.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.817 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -110.97 145.41 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.031 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 30.3 m-85 -145.83 -147.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 82' ' ' VAL . 3.8 t0 -136.23 128.0 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HD2' HG11 ' A' ' 48' ' ' VAL . 3.0 ptmt -40.09 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -72.19 -54.0 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -70.08 -162.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.712 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -141.97 151.4 22.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.435 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 66.6 p -39.8 -37.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.44 77.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.67 -68.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.48 113.19 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.031 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -95.6 114.32 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.817 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -43.51 -27.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.66 -176.37 47.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -155.32 171.22 20.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.671 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -152.55 151.91 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -110.94 112.45 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.11 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -108.37 101.23 41.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.0 142.62 28.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 12' ' ' LEU . 10.6 mt -100.7 9.47 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -67.85 -38.22 13.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.95 -30.16 7.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.622 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -80.37 -29.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.726 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 6.1 m-85 -76.94 -19.36 57.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.0 t -96.82 -43.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.7 -41.93 17.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 97.56 -9.18 64.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -165.11 124.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.622 HG12 HG23 ' A' ' 99' ' ' VAL . 48.7 mm -121.66 134.77 24.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.06 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.43 ' CB ' HG21 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.46 148.01 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.45 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.813 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -77.97 103.04 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.44 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.9 m-85 -84.71 132.65 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.92 123.99 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 92' ' ' ALA . 40.7 t -107.13 112.19 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.8 168.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.1 90.86 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.6 t0 83.48 -22.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.33 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.1 mt-10 -84.55 137.25 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 120' ' ' GLY . 35.2 t80 -78.22 108.34 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.576 ' HB2' HG12 ' A' ' 112' ' ' VAL . 10.2 mmpt? -77.31 -44.04 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.582 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 171.12 -123.96 1.08 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.602 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 6.0 pt-20 -149.95 146.72 27.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.58 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.3 tt -118.79 121.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.813 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.5 m95 -83.86 122.36 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 12.8 t -151.46 148.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.837 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -117.96 149.9 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.11 HD11 ' CG2' ' A' ' 94' ' ' ILE . 4.7 mt -128.71 147.36 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 13' ' ' GLU . 59.4 m -151.79 113.99 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 8' ' ' PRO . 19.5 t80 -90.46 145.11 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -135.83 90.78 18.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.4 19.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 t -59.65 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.08 -148.05 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 105.31 2.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 -56.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.6 t -82.38 98.27 8.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -115.33 150.49 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.59 160.14 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.25 -144.02 9.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.48 -60.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 158.69 34.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.74 -171.16 42.71 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -74.98 142.56 28.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.697 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.6 p-80 -167.42 118.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 170.57 -131.02 2.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.557 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 61.8 m -111.84 137.18 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 96' ' ' LEU . 1.2 tp -117.62 137.73 52.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -108.2 137.2 46.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 37' ' ' LEU . 53.0 t -131.28 108.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 18.9 t -102.84 99.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 35' ' ' VAL . 21.7 tp -79.05 84.51 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 18' ' ' SER . 78.6 t -60.38 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 14.7 p -146.26 -177.78 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.744 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -157.74 118.17 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.798 ' CB ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -109.61 148.93 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.6 -147.14 19.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.786 HD11 ' CD2' ' A' ' 118' ' ' TYR . 65.1 mt -121.87 -171.27 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -105.03 -17.59 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -120.19 48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.85 111.12 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.02 88.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.658 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 11.6 t80 -142.03 111.88 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.918 ' O ' HG22 ' A' ' 54' ' ' THR . 5.4 mt 75.83 71.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -138.8 120.35 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 46.25 67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.8 ptm -163.84 175.67 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 64.7 m-20 -129.78 69.29 81.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.3 Cg_endo -74.94 156.35 43.24 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 19.1 p90 -132.05 148.94 52.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 16' ' ' LEU . 78.2 t -90.51 140.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 45' ' ' LYS . 19.0 tt0 -118.15 94.78 4.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.957 HD22 HD21 ' A' ' 73' ' ' LEU . 48.9 mt -68.9 142.11 54.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.814 ' O ' HD12 ' A' ' 73' ' ' LEU . 2.2 m -142.55 128.95 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -135.82 93.88 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.46 -84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.4 p -125.47 2.2 7.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -98.49 121.77 40.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.79 135.65 55.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -150.5 125.37 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -104.39 166.68 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -110.82 165.78 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -47.95 159.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' GLU . 6.4 t -81.07 119.41 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -62.04 78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' VAL . 21.1 mt-10 -69.08 121.73 17.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.13 79.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.532 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 13.8 mmt -116.1 -32.0 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.03 -132.37 10.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -106.29 12.15 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 110.445 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.798 HG22 ' CB ' ' A' ' 20' ' ' LYS . 1.8 p -150.65 76.73 8.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.614 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -75.04 136.6 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 55.3 mp0 -112.14 132.56 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.455 ' C ' ' N ' ' A' ' 60' ' ' GLU . 25.1 m-90 -111.89 -37.05 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 108.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' TRP . 1.3 m-20 39.31 30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' TRP . 20.6 mm-40 -84.72 -177.12 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -145.65 120.98 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 40.9 m-85 -124.67 127.17 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.9 mm -98.4 141.21 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 28.5 m-85 -134.97 128.28 32.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -70.13 124.33 23.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -113.52 133.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.516 ' HA ' ' CB ' ' A' ' 9' ' ' HIS . 2.3 t -144.33 -67.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' GLU . 5.0 pt-20 -144.22 118.45 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.15 -30.5 7.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.452 HG23 ' SG ' ' A' ' 39' ' ' CYS . 1.7 m -69.27 92.24 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.7 p -128.58 2.77 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -174.69 143.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.957 HD21 HD22 ' A' ' 37' ' ' LEU . 14.8 tp -103.33 146.25 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -112.34 113.79 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -109.88 117.45 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 17.0 mttt -116.07 140.64 49.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.788 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -106.79 125.03 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.199 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 96.3 m-85 -132.06 163.21 28.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.824 ' O ' HG12 ' A' ' 82' ' ' VAL . 5.2 t0 -83.67 156.22 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -62.28 -12.0 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -120.46 68.82 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.6 p -173.98 168.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -118.28 134.79 11.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' GLY . 66.9 p -35.25 -36.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLY . 31.0 mt-10 -97.52 57.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.495 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 15.6 t0 -142.2 -65.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 175.56 119.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.199 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -96.92 131.27 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.788 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -44.18 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.89 179.05 47.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.0 171.62 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 0.761 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.651 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -152.85 139.21 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 15.6 m -95.22 112.37 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.122 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.7 mt -106.74 101.64 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.99 145.44 31.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 12' ' ' LEU . 8.2 mt -101.17 0.52 37.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.8 tt0 -58.34 -42.13 93.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.23 7.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -86.92 -0.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 8.4 m-30 -99.29 -31.91 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.6 m -95.31 -31.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.11 -33.28 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.47 71.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -172.4 134.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 106' ' ' PRO . 5.2 mm -131.08 140.41 38.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -75.0 104.02 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 m -114.61 148.0 38.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.79 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -79.67 101.34 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 89.1 m-85 -79.2 136.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.98 128.43 21.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 92' ' ' ALA . 41.5 t -111.6 113.36 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.32 172.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 30.5 tptt -150.13 90.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 13.2 t0 89.16 -27.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.5 OUTLIER 158.63 -21.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 113' ' ' VAL . 2.1 mm-40 -86.42 151.12 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.786 ' CD2' HD11 ' A' ' 22' ' ' LEU . 57.1 t80 -86.05 113.66 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HB2' HG12 ' A' ' 112' ' ' VAL . 1.1 mmpt? -81.92 -54.64 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.41 -136.44 2.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.758 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.9 pt-20 -138.84 152.66 48.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.744 HG13 ' HB2' ' A' ' 19' ' ' ALA . 6.8 tt -125.73 121.53 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.79 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 45.9 m95 -87.44 121.67 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 123' ' ' TRP . 22.2 t -152.9 145.95 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.652 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -111.92 149.87 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.122 HD11 ' CG2' ' A' ' 94' ' ' ILE . 20.0 mt -125.82 142.37 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.95 93.57 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.49 ' HB2' HG13 ' A' ' 99' ' ' VAL . 11.9 t80 -76.58 158.84 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.6 mttm -149.11 89.75 4.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.88 28.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 86.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -154.18 7.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 135.25 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 88.45 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -71.85 167.19 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.18 136.39 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.07 -160.4 10.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -175.61 141.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 110.049 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.26 161.4 33.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.21 -172.35 44.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 179.07 140.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.78 -116.29 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.49 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 36.8 m -140.04 150.85 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 126' ' ' LEU . 14.2 tp -117.52 149.35 40.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tt0 -124.3 96.47 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG11 ' HG ' ' A' ' 37' ' ' LEU . 64.1 t -86.37 120.94 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.683 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 62.0 t -116.44 93.85 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.81 87.23 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 18' ' ' SER . 55.5 t -60.17 -87.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.466 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -146.47 -167.19 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -160.09 116.95 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.622 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -103.46 149.88 24.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.56 -141.74 8.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.799 HD21 ' HE2' ' A' ' 118' ' ' TYR . 76.9 mt -119.18 165.12 14.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.96 -19.49 37.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -126.44 46.02 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -163.57 129.94 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.0 90.63 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE1' ' HG ' ' A' ' 28' ' ' LEU . 7.6 t80 -131.55 126.25 34.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.583 HD21 HG21 ' A' ' 77' ' ' ILE . 15.1 mt 69.12 32.07 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' MET . 2.1 t-20 -60.41 -148.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -65.88 73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -146.72 179.66 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 11.8 m-20 -119.7 77.79 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.543 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 166.22 29.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.4 p90 -162.35 130.97 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.903 HG22 HG13 ' A' ' 77' ' ' ILE . 76.1 t -92.9 154.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.896 ' CD ' HG21 ' A' ' 84' ' ' THR . 16.2 tt0 -124.08 95.41 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.14 121.27 14.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.865 ' O ' HD12 ' A' ' 73' ' ' LEU . 88.1 m -124.19 138.67 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.26 98.11 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 108.317 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 -88.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.0 p -120.03 1.62 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -97.72 114.92 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.61 119.13 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -134.77 123.68 23.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 23.7 mtmt -104.42 166.52 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -112.1 159.23 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -48.62 149.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 13.7 t -74.71 116.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -64.61 86.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' GLY . 28.7 mt-10 -77.43 131.17 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.69 73.96 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.553 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.51 -32.38 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.43 -150.98 18.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 55' ' ' THR . 1.4 p -89.85 26.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.763 HG23 ' O ' ' A' ' 54' ' ' THR . 1.2 p -161.66 70.17 2.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.04 141.49 26.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -119.76 139.93 51.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -119.52 -43.11 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 44.81 34.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.7 172.03 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -134.74 125.41 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CD2' HD23 ' A' ' 37' ' ' LEU . 52.0 m-85 -126.12 126.48 44.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.4 mm -97.83 143.64 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 26.5 m-85 -137.22 139.34 40.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -74.54 110.61 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 12' ' ' LEU . 38.9 t -96.36 148.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 -72.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -140.83 140.07 34.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.76 -46.63 2.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -63.75 84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 p -111.51 -16.14 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.16 163.13 40.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.865 HD12 ' O ' ' A' ' 38' ' ' THR . 16.0 tp -117.32 145.62 43.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -109.52 122.59 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.91 102.53 8.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 38.5 mttp -103.63 138.52 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.908 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.9 mp -101.81 119.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.215 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 90.6 m-85 -125.78 168.5 13.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.779 ' HB3' HG13 ' A' ' 82' ' ' VAL . 59.9 t0 -93.75 135.46 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 13.0 ptmt -49.9 -20.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' N ' ' C ' ' A' ' 79' ' ' ASP . 16.5 t0 -81.07 -34.09 32.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.779 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.3 m -94.69 -168.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.541 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -138.42 145.28 16.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.896 HG21 ' CD ' ' A' ' 36' ' ' GLN . 59.6 p -35.47 -34.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' GLY . 18.2 mt-10 -99.88 70.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.33 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.78 121.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.215 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -102.58 124.02 47.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.908 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -43.35 -27.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -175.28 -179.16 45.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.85 172.22 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.693 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -156.21 138.53 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 16.5 m -99.25 113.98 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.647 ' CG2' HD21 ' A' ' 126' ' ' LEU . 3.6 mt -106.69 102.5 42.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.0 137.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 99' ' ' VAL . 17.6 mt -97.62 10.51 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.707 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tt0 -67.89 -38.57 14.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.05 -25.28 11.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -84.89 -7.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 15.4 m-30 -96.89 -31.12 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.8 m -93.31 -31.54 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.1 mm-40 -90.05 -32.3 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -11.36 58.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 105' ' ' ILE . 87.6 p -166.32 129.65 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.576 HG12 HG23 ' A' ' 99' ' ' VAL . 47.1 mm -121.34 134.79 24.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.0 168.26 25.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.508 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.2 Cg_endo -74.99 102.12 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 152.45 34.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.766 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -80.19 107.94 13.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 73.3 m-85 -85.24 143.44 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.12 131.88 52.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 92' ' ' ALA . 44.7 t -112.85 114.72 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.827 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.85 170.56 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 31.3 tptt -142.29 89.38 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 1.2 t70 83.63 -21.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 160.23 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.827 ' O ' HG12 ' A' ' 113' ' ' VAL . 12.0 pt-20 -81.14 165.73 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.799 ' HE2' HD21 ' A' ' 22' ' ' LEU . 52.2 t80 -102.01 117.95 35.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.448 ' CE ' ' HG3' ' A' ' 117' ' ' GLU . 6.6 mmpt? -88.41 -55.81 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -167.88 -137.46 2.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.406 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.6 pt-20 -140.93 143.83 34.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.585 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.4 tt -118.49 123.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.766 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 29.7 m95 -83.8 119.16 24.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.565 HG12 HD11 ' A' ' 126' ' ' LEU . 10.5 t -136.73 156.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.983 ' C ' HD13 ' A' ' 126' ' ' LEU . . . -143.12 123.72 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.983 HD13 ' C ' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -115.76 137.11 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 3.4 m -135.79 94.58 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.541 ' H ' HG22 ' A' ' 99' ' ' VAL . 32.2 t80 -64.56 156.8 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -143.55 90.5 7.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.3 t -79.36 85.95 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -143.67 -141.8 3.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 80.57 2.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -164.56 138.61 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -169.86 124.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.59 120.88 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -147.11 84.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.45 -91.4 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 55.13 103.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.53 136.24 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.42 -173.73 20.99 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 178.92 119.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.3 -142.3 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 53.1 m -111.21 144.36 40.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.997 HD11 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -109.38 146.91 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.89 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -128.84 112.8 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.997 HG23 HD11 ' A' ' 12' ' ' LEU . 41.7 t -105.16 112.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.741 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 99.3 t -97.17 89.51 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.908 HD13 ' CB ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -65.76 104.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 18' ' ' SER . 40.0 t -85.41 -86.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.507 ' N ' HG12 ' A' ' 17' ' ' VAL . 48.6 p -156.37 -173.54 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -149.54 128.28 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.618 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.26 153.53 27.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.76 -179.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.717 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.6 mm? -77.71 164.58 25.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.61 -50.09 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -114.87 64.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -130.63 116.03 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.56 55.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 16.2 t80 -114.12 121.44 43.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD22 ' HG2' ' A' ' 33' ' ' PRO . 27.8 mt 72.58 24.83 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' MET . 2.3 t-20 -60.92 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.14 73.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.7 ptm -148.49 -173.2 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 12.2 m-20 -133.51 65.87 72.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HG2' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -74.94 160.45 40.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 35.4 p90 -141.46 147.8 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 ' CH2' ' A' ' 58' ' ' TRP . 97.5 t -92.39 148.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -137.97 95.7 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.914 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.69 126.3 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.773 HG23 ' HB3' ' A' ' 43' ' ' ASP . 8.7 m -119.97 139.21 52.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' HG21 ' A' ' 70' ' ' THR . 40.4 t -136.8 89.52 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.21 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.0 p -114.41 -26.4 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.442 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.461 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 11.6 pt20 -91.51 124.74 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.773 ' HB3' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -134.02 173.58 11.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 67.9 mt-30 -157.16 140.37 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -104.91 158.41 16.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.95 172.32 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -53.21 165.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.0 t -93.04 120.12 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -64.67 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLY . 24.1 mt-10 -75.56 120.33 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.3 73.76 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 5.6 mmt -115.45 -31.99 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 108.91 -162.06 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 p -80.03 3.48 20.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.618 HG22 ' CG ' ' A' ' 20' ' ' LYS . 10.7 p -134.95 64.02 60.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 55' ' ' THR . 18.3 Cg_endo -74.97 126.52 10.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 1.5 mt-10 -109.22 123.37 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.908 ' CB ' HD13 ' A' ' 16' ' ' LEU . 27.5 m-90 -93.44 -44.29 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 107.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 54.17 39.7 30.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . 7.9 mm-40 -94.84 171.73 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 119.65 16.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.914 ' CD1' HD23 ' A' ' 37' ' ' LEU . 55.8 m-85 -118.52 146.99 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.504 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.2 mm -118.36 142.86 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' HB2' HD12 ' A' ' 12' ' ' LEU . 40.5 m-85 -143.28 135.24 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -80.91 125.32 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.841 HG13 ' HB ' ' A' ' 70' ' ' THR . 45.7 t -111.86 143.74 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.6 t 156.99 44.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.93 43.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 71' ' ' THR . . . 88.51 -28.83 6.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.841 ' HB ' HG13 ' A' ' 66' ' ' VAL . 51.5 m -37.85 110.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.404 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 69' ' ' GLY . 4.2 p -140.42 32.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -177.83 153.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.981 HD22 HG21 ' A' ' 14' ' ' VAL . 4.3 tp -118.76 141.84 48.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.88 119.32 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.45 111.04 20.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 10.7 mttp -111.66 136.9 50.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.832 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -109.7 141.87 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.12 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 31.4 m-85 -141.9 -163.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 82' ' ' VAL . 18.4 t0 -116.62 135.67 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -44.63 -28.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' O ' HG23 ' A' ' 82' ' ' VAL . 67.8 m-20 -100.71 43.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 53.1 t -153.49 150.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -93.53 135.48 12.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.5 p -38.13 -32.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 83' ' ' GLY . 33.9 mt-10 -106.98 55.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.4 t70 -135.45 -68.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.83 114.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.12 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -92.86 117.55 30.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.832 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -41.18 -29.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.32 176.07 45.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -146.97 170.61 16.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.801 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -155.15 140.54 17.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 m -96.76 115.65 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.963 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -108.32 100.21 36.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.99 135.21 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.603 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.1 mt -96.79 6.15 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.682 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.0 tt0 -63.15 -39.76 54.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.02 -25.94 11.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.564 HG22 ' H ' ' A' ' 128' ' ' PHE . 1.2 p -88.56 -3.56 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 12.5 m-30 -97.94 -31.76 12.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.6 m -93.6 -34.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.67 -44.4 14.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.74 -13.04 61.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 105' ' ' ILE . 41.5 p -167.44 129.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 106' ' ' PRO . 44.3 mm -120.4 138.64 27.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.96 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -121.59 146.09 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.932 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -78.81 105.44 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 69.0 m-85 -81.66 131.78 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -44.63 123.63 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.801 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.2 t -110.88 111.39 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.459 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.22 169.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 46.5 tptt -143.55 88.99 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.1 t70 87.21 -22.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.565 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.76 -21.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.459 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.9 mt-10 -87.34 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.717 ' HE2' HD11 ' A' ' 22' ' ' LEU . 66.6 t80 -76.95 113.87 15.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.462 ' HB2' HG12 ' A' ' 112' ' ' VAL . 4.0 mmpt? -86.84 -29.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 159.73 -136.38 4.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.752 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 7.6 pt-20 -143.29 149.15 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.623 HG13 ' HB2' ' A' ' 19' ' ' ALA . 9.5 tt -116.82 121.31 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.932 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 36.2 m95 -83.46 123.72 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.476 HG23 ' C ' ' A' ' 123' ' ' TRP . 46.9 t -154.8 133.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.741 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -102.51 138.53 39.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.963 HD11 ' CG2' ' A' ' 94' ' ' ILE . 11.9 mt -113.99 136.36 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.98 96.47 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.564 ' H ' HG22 ' A' ' 99' ' ' VAL . 38.4 t80 -77.16 155.12 32.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -138.72 91.78 11.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.59 32.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.0 t -77.92 86.08 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.78 -147.94 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 63.67 6.01 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.8 m 65.5 75.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.944 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 20.3 p 49.37 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.84 128.61 37.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 0.782 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -151.02 133.04 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.94 -129.18 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t 75.43 -57.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m 63.26 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.46 -166.25 18.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.02 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.16 124.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.604 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.44 -140.57 6.27 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 48.7 m -121.6 144.69 48.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.9 HD11 HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -112.1 144.84 40.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.773 ' H ' HD22 ' A' ' 12' ' ' LEU . 3.1 tt0 -125.14 102.74 7.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.01 HG22 HD12 ' A' ' 126' ' ' LEU . 7.6 t -91.74 125.62 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.677 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 58.7 t -115.39 86.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 14.1 tp -70.47 89.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 18' ' ' SER . 55.6 t -63.15 -88.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.481 ' N ' HG12 ' A' ' 17' ' ' VAL . 3.0 p -149.72 -170.78 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.17 135.73 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.8 OUTLIER -122.48 150.28 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 -175.41 28.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.0 mm? -79.46 -151.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -100.67 -40.32 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -113.26 60.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.85 131.37 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 29' ' ' ASN . 2.1 t0 -91.85 35.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' A' ' 28' ' ' LEU . 20.2 t80 -85.73 126.55 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 66.45 25.63 10.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 26' ' ' ASP . 1.6 t-20 -60.82 -147.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.52 76.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.0 ptm -148.52 -172.93 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 1.3 m-20 -132.56 66.16 76.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -74.99 163.86 34.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.555 1.818 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 32.4 p90 -147.6 141.47 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.565 HG23 ' CZ2' ' A' ' 58' ' ' TRP . 46.0 t -91.83 145.23 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -129.06 96.08 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -68.49 156.06 38.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 73' ' ' LEU . 12.5 m -149.23 134.76 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 29.4 t -134.02 107.64 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.4 mmm180 67.95 -84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 p -138.86 17.47 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.578 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -114.04 114.76 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -108.72 148.74 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -152.02 122.43 7.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 3.3 mtmt -87.19 159.22 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -111.16 167.44 10.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -48.26 155.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 12.1 t -88.3 124.57 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -68.87 82.11 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HG3' HG12 ' A' ' 48' ' ' VAL . 55.1 mt-10 -76.03 114.35 14.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.56 73.12 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmt -115.55 -23.44 8.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.72 -151.14 19.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 55' ' ' THR . 1.1 p -88.3 27.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 54' ' ' THR . 1.4 p -155.37 70.08 5.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.96 123.52 7.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -112.67 137.62 50.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CZ2' HG23 ' A' ' 35' ' ' VAL . 22.8 m-90 -112.37 -49.62 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 108.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m120 54.47 40.58 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -96.0 -175.13 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 16.0 m -145.47 117.19 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.762 ' CD2' HD23 ' A' ' 37' ' ' LEU . 62.4 m-85 -118.24 124.57 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.2 mm -94.78 150.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 18.3 m-85 -147.83 145.54 28.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.44 115.58 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 15.6 t -97.8 148.85 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -177.15 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -156.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.51 25.67 8.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 70' ' ' THR . 0.9 OUTLIER -87.31 101.44 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 110.375 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.7 p -121.23 40.27 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 6.5 pt-20 -177.89 136.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.956 HD22 HG21 ' A' ' 14' ' ' VAL . 5.0 tp -96.62 141.43 29.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -104.25 125.63 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.06 99.2 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 4.1 mttp -100.3 123.23 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.778 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -89.36 144.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.061 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.6 m-85 -142.76 -170.61 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.5 ' OD1' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.97 133.05 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' HD3' HG11 ' A' ' 48' ' ' VAL . 1.1 ttpt -43.7 -35.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 82' ' ' VAL . 36.7 m-20 -91.12 41.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 84.0 t -157.33 153.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -98.88 134.26 11.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.458 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 25.2 p -36.46 -36.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.22 54.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 65.1 t0 -137.68 -66.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -167.86 119.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.061 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -94.76 116.12 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.778 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -40.86 -30.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.1 -179.83 48.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.45 171.32 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.743 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -156.55 144.28 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 18.0 m -104.43 112.3 25.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.645 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.2 mt -106.93 102.06 40.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.4 Cg_endo -74.97 136.02 19.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.0 mt -96.04 4.07 52.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.5 tt0 -60.46 -40.76 79.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -83.43 -8.72 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 13.5 m-30 -94.44 -33.89 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.4 m -90.25 -32.62 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.2 mm-40 -87.83 -37.68 16.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -12.19 68.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.549 ' O ' HD13 ' A' ' 105' ' ' ILE . 18.8 p -164.8 129.27 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.687 HG12 HG23 ' A' ' 99' ' ' VAL . 43.5 mm -122.5 137.73 28.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.97 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.542 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.98 102.76 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.27 155.4 28.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -85.56 114.95 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 72.8 m-85 -93.67 137.01 33.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.93 131.4 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.743 HG22 ' HB2' ' A' ' 92' ' ' ALA . 50.3 t -118.44 113.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.68 169.88 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 43.3 tptt -143.16 88.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 87.38 -22.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.22 -21.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.23 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.75 ' HE2' HD11 ' A' ' 22' ' ' LEU . 64.0 t80 -77.56 113.07 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -81.71 -37.36 27.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 169.23 -141.45 6.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.8 pt-20 -137.15 142.1 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.527 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.8 tt -113.5 120.71 64.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.3 m95 -80.65 113.34 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.606 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 47.6 t -129.06 160.62 39.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.677 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -148.88 116.08 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.01 HD12 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -105.35 141.7 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER -137.8 86.6 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.692 ' H ' HG22 ' A' ' 99' ' ' VAL . 30.5 t80 -60.7 163.1 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -147.5 90.44 5.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.1 p -63.52 87.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.24 -145.8 12.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.24 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.4 p -177.11 131.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.03 155.14 17.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.28 152.35 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.963 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.24 141.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.19 -149.86 17.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m 58.8 83.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.43 163.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 178.46 38.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.01 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.19 144.9 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.67 -140.44 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 94.2 m -107.42 150.75 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.848 HD11 HD22 ' A' ' 96' ' ' LEU . 1.1 tp -125.68 143.69 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.3 tt0 -110.77 146.21 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.908 HG11 ' HG ' ' A' ' 37' ' ' LEU . 52.9 t -136.19 106.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.651 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 30.6 t -102.55 103.6 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD11 HG21 ' A' ' 35' ' ' VAL . 13.5 tp -85.55 91.83 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG12 ' OG ' ' A' ' 18' ' ' SER . 72.7 t -68.65 -89.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.519 ' OG ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -151.11 -171.98 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.014 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.25 140.13 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CG ' HG22 ' A' ' 55' ' ' THR . 3.3 mttt -123.63 147.09 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.59 -177.34 29.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.73 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.8 mm? -74.55 -168.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.18 -40.57 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.53 61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.88 127.14 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.91 38.05 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 13.4 t80 -83.39 114.92 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 17.0 mt 76.06 31.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -60.01 -146.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -63.37 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.6 ptm -153.49 -179.14 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 m-20 -126.53 73.52 74.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 177.4 8.64 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CD2' ' HD2' ' A' ' 45' ' ' LYS . 41.6 p90 -161.61 144.28 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.741 HG21 HD11 ' A' ' 16' ' ' LEU . 34.0 t -91.72 140.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 45' ' ' LYS . 3.3 tt0 -125.25 100.03 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.908 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -64.4 143.16 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.472 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -139.65 120.78 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -130.62 91.34 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.287 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? 63.12 -84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.1 p -119.79 -5.11 10.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -92.72 115.21 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.15 120.59 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 69.3 mt-30 -132.33 122.39 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HD2' ' CD2' ' A' ' 34' ' ' TYR . 1.5 ttpm? -122.37 156.13 34.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -110.1 165.23 11.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' SER . 2.9 m120 -49.3 177.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 6.5 m -91.01 148.86 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -80.72 87.68 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.1 mt-10 -70.42 132.49 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.23 67.3 0.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.471 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -116.03 -32.46 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.98 -153.28 20.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 p -82.52 10.31 7.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.499 HG22 ' CG ' ' A' ' 20' ' ' LYS . 3.2 p -138.7 73.54 40.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.177 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.478 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 153.12 41.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.79 150.74 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.55 ' CH2' HG23 ' A' ' 35' ' ' VAL . 16.5 m-90 -130.69 -51.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LEU . 4.7 m120 61.92 34.72 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -177.61 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m -144.75 124.41 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' CD2' HD23 ' A' ' 37' ' ' LEU . 42.5 m-85 -126.48 121.8 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 8.1 mm -89.93 141.57 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' HB2' HD23 ' A' ' 12' ' ' LEU . 44.3 m-85 -132.21 124.91 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -68.53 120.34 14.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 55.2 t -97.35 148.02 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -176.92 74.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 56.67 161.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.94 -55.13 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 11.7 m -66.11 116.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.1 p -141.85 13.3 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -173.74 152.63 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 38' ' ' THR . 12.5 tp -112.97 145.52 40.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -109.66 127.57 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.87 123.26 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 10.9 mttp -121.31 140.49 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.725 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -114.97 144.34 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.96 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 14.6 m-85 -144.18 -159.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.768 ' HB3' HG13 ' A' ' 82' ' ' VAL . 34.2 t0 -120.22 140.67 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -53.57 -28.24 30.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -73.06 -22.14 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.768 HG13 ' HB3' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -110.47 -176.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -129.69 154.91 20.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 21.8 p -37.16 -32.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' GLY . 3.7 pt-20 -107.65 78.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.79 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.88 112.44 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.96 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -89.49 116.08 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.725 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.7 OUTLIER -48.52 -29.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.56 176.29 44.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.01 168.26 23.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.833 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -146.66 151.0 36.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 m -107.15 113.12 26.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.092 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.5 mt -108.15 101.48 41.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -74.98 139.4 24.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.848 HD22 HD11 ' A' ' 12' ' ' LEU . 9.2 mt -98.19 7.38 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.8 tt0 -63.99 -41.59 63.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.1 Cg_endo -75.04 -28.45 9.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.658 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -84.6 -3.57 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 1.9 m-85 -100.08 -23.84 14.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.7 m -103.36 -32.09 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.74 -36.28 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.59 76.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -174.26 123.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 99' ' ' VAL . 35.2 mm -111.52 139.87 22.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.06 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 101.58 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -116.29 150.1 38.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.852 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -83.2 105.13 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.541 ' CD2' HG12 ' A' ' 94' ' ' ILE . 79.1 m-85 -82.0 137.34 35.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -51.39 127.96 21.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.833 HG22 ' HB2' ' A' ' 92' ' ' ALA . 39.6 t -112.91 110.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.561 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -108.3 172.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 12.4 tptt -146.84 90.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.1 t0 87.18 -25.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER 158.53 -22.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.561 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.3 mm-40 -86.88 153.14 21.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.73 ' HE2' HD11 ' A' ' 22' ' ' LEU . 46.8 t80 -86.49 127.24 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.77 -31.88 10.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 161.13 -142.87 8.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.852 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.5 pt-20 -135.26 149.41 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.453 ' HB ' HG21 ' A' ' 112' ' ' VAL . 3.3 tt -119.15 121.8 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.777 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 44.7 m95 -83.8 121.44 27.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 123' ' ' TRP . 23.7 t -153.11 141.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.651 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -114.72 142.87 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.092 HD11 ' CG2' ' A' ' 94' ' ' ILE . 2.7 mt -119.77 151.61 38.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -150.08 112.34 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 25.8 t80 -91.93 144.15 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -133.86 90.33 27.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 133.02 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.3 t -60.07 88.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -122.03 170.23 14.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 76.78 3.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -164.89 -59.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 45.5 p -50.75 131.96 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -95.24 126.59 40.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 m -146.08 165.54 28.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 148.71 20.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -151.88 132.69 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -164.41 154.1 13.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.07 -168.02 40.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -75.0 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -168.16 135.79 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.08 -127.62 1.88 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.609 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 63.9 m -125.82 152.27 45.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.057 HD22 ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -119.49 130.8 55.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 1.057 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -110.39 123.19 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.769 ' CG2' HD11 ' A' ' 12' ' ' LEU . 67.3 t -118.61 108.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 43.7 t -98.69 95.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 35' ' ' VAL . 17.3 tp -71.48 85.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 107' ' ' PRO . 79.6 t -62.62 -84.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.417 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 80.0 p -153.33 -171.19 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -153.68 147.1 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -125.41 144.25 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.08 174.06 19.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? -68.31 -171.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.71 -9.32 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.43 53.32 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.42 -156.88 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -145.72 79.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.814 ' CE1' HD13 ' A' ' 28' ' ' LEU . 33.4 t80 -148.06 124.24 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.814 HD13 ' CE1' ' A' ' 27' ' ' PHE . 3.5 mp 66.62 36.03 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.31 121.53 45.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 41.75 77.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 9.9 ptm -171.74 -179.83 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.561 ' HB3' HG13 ' A' ' 48' ' ' VAL . 32.7 m-20 -129.79 68.22 80.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.08 160.37 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 50.5 p90 -142.7 146.53 34.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 16' ' ' LEU . 85.0 t -91.24 148.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 8.6 tt0 -134.64 97.55 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.942 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.62 139.73 57.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -133.98 141.19 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.512 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -141.67 95.39 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.3 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.38 8.62 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.576 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 2.2 pt20 -109.73 114.11 27.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -110.05 155.55 21.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -150.42 120.8 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 4.6 mtmp? -90.71 155.74 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.57 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -59.08 157.36 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 32' ' ' ASP . 8.2 t -86.1 126.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -75.59 89.38 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' HG3' HG12 ' A' ' 48' ' ' VAL . 45.0 mt-10 -82.38 130.98 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.12 70.61 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.458 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.46 -32.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.985 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.81 -146.61 18.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -88.42 21.05 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 20' ' ' LYS . 1.8 p -148.8 70.26 10.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.5 Cg_endo -75.0 144.0 29.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mp0 -119.29 172.36 7.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 24.8 m-90 -158.0 -46.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 26.04 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -176.35 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -150.81 119.05 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.942 ' CD1' HD23 ' A' ' 37' ' ' LEU . 93.1 m-85 -114.72 147.59 39.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.609 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.9 mm -123.47 140.31 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 60.6 m-85 -139.55 144.9 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -79.01 131.48 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.81 140.18 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -141.69 -70.56 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.59 145.6 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.7 -41.86 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 44.8 m -69.2 94.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -128.25 33.05 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.4 pt-20 -176.13 150.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 74' ' ' LYS . 2.3 tm? -107.51 151.74 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 1.023 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.52 127.03 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.76 103.58 6.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.2 mttp -104.02 131.45 51.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.916 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -97.11 138.18 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.167 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.4 m-85 -139.36 -169.15 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 82' ' ' VAL . 14.2 t70 -121.43 130.06 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -42.38 -33.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 82' ' ' VAL . 1.2 t0 -94.36 44.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 81' ' ' ASP . 79.2 t -157.54 154.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -97.44 136.14 12.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -38.45 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 83' ' ' GLY . 4.7 pt-20 -108.36 59.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 30.1 t0 -138.63 -70.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -168.05 111.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.167 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -86.94 116.52 25.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.916 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -39.81 -30.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 178.79 -177.84 48.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.71 174.33 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.734 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -158.54 140.58 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 m -107.11 111.14 23.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.124 ' CG2' HD11 ' A' ' 126' ' ' LEU . 2.7 mp -106.62 107.07 59.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.01 139.31 24.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 9.7 mt -96.06 3.84 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.668 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tt0 -60.75 -40.85 78.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -27.29 10.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.806 HG23 HG12 ' A' ' 105' ' ' ILE . 1.1 p -89.51 -4.27 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 9.4 m-30 -95.22 -34.1 12.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.9 m -88.55 -34.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.431 ' HG2' HG23 ' A' ' 101' ' ' VAL . 3.5 mm-40 -84.75 -46.11 11.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.78 -4.83 61.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.163 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 105' ' ' ILE . 79.5 p -170.07 128.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.806 HG12 HG23 ' A' ' 99' ' ' VAL . 39.6 mm -126.76 140.84 38.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.55 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 101.93 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -111.62 148.41 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.847 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -83.85 106.06 15.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.589 ' CD2' HG12 ' A' ' 94' ' ' ILE . 95.2 m-85 -86.39 134.86 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.65 121.56 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 92' ' ' ALA . 56.2 t -105.31 113.3 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.1 172.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -148.43 92.62 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 10.9 t0 85.82 -26.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.16 -21.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 113' ' ' VAL . 2.8 mm-40 -85.97 152.1 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.484 ' CD2' HD21 ' A' ' 22' ' ' LEU . 58.5 t80 -88.03 119.98 28.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 4.0 mmpt? -93.42 -23.89 18.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 149.32 -144.17 11.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.732 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 10.0 pt-20 -133.12 146.4 51.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 112' ' ' VAL . 4.5 tt -118.86 122.79 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.847 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.0 m95 -84.55 126.08 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.44 HG23 ' C ' ' A' ' 123' ' ' TRP . 30.2 t -153.68 139.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.589 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -107.68 145.23 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.124 HD11 ' CG2' ' A' ' 94' ' ' ILE . 9.8 mt -119.94 140.85 50.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -148.96 88.66 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.57 ' HB2' HG13 ' A' ' 99' ' ' VAL . 41.1 t80 -73.34 144.38 46.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -127.59 90.69 47.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 146.71 33.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -98.91 61.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.56 -148.41 2.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 75.81 3.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m 57.19 105.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.88 118.86 20.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -134.48 129.36 35.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -112.48 158.42 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.06 162.28 21.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -141.64 109.3 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 149.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.45 -172.63 45.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 -179.04 4.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -166.41 130.43 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.9 -136.86 4.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.415 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 54.2 m -130.18 143.48 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.929 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -106.39 144.71 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.861 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.4 tt0 -127.15 102.17 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.929 HG23 HD11 ' A' ' 12' ' ' LEU . 23.2 t -89.17 125.16 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 59.6 t -114.15 91.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD21 ' HB ' ' A' ' 35' ' ' VAL . 7.9 tp -69.82 91.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 107' ' ' PRO . 65.6 t -67.43 -85.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' TRP . 83.8 p -157.72 -167.64 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -156.11 142.38 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HG2' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -134.39 153.37 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.11 -174.49 30.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.739 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.8 mm? -73.4 164.91 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -51.66 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.46 67.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -135.68 119.0 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' ASP . 5.3 t0 -78.45 74.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.523 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 13.9 t80 -125.61 118.91 26.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD13 ' CD ' ' A' ' 56' ' ' PRO . 13.1 mt 75.36 33.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.8 t-20 -63.51 -147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 72.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.2 ptm -144.76 -173.06 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.652 ' HB3' HG13 ' A' ' 48' ' ' VAL . 19.3 m-20 -126.1 71.39 69.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.3 Cg_endo -75.0 150.96 38.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 43.1 p90 -149.14 134.87 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.014 HG22 HG13 ' A' ' 77' ' ' ILE . 87.1 t -92.01 148.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.629 ' OE1' HG21 ' A' ' 84' ' ' THR . 15.2 tt0 -120.16 97.19 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.764 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.04 128.02 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.79 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.7 m -129.58 134.34 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.37 110.66 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 108.309 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.504 ' CD ' ' OG1' ' A' ' 70' ' ' THR . 0.0 OUTLIER 60.26 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -136.81 10.29 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -101.31 114.68 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.03 130.41 55.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -148.3 124.01 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 34' ' ' TYR . 18.6 mtpt -97.52 166.36 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -110.85 169.7 8.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -48.59 158.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HB3' ' A' ' 32' ' ' ASP . 4.0 t -88.34 105.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -63.48 90.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.583 ' HG3' HG12 ' A' ' 48' ' ' VAL . 14.9 mt-10 -77.47 116.24 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.62 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.694 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 5.3 mmt -110.44 -31.22 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 54' ' ' THR . . . 102.72 70.83 0.86 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.511 ' C ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER 43.9 26.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' C ' ' A' ' 54' ' ' THR . 31.4 p -157.07 74.91 4.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.528 ' CD ' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 112.01 3.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -102.12 132.61 47.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.462 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 17.8 m-90 -113.93 -58.97 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.034 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' LEU . 4.6 m120 63.41 36.42 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -171.15 2.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 4.7 m -148.75 119.91 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.593 ' CD1' HD23 ' A' ' 37' ' ' LEU . 44.3 m-85 -120.17 133.11 55.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.3 mm -103.42 152.99 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 43.7 m-85 -152.48 129.72 11.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -73.48 130.58 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.44 147.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t -159.04 -52.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -167.9 140.96 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.86 -52.82 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m -69.76 104.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.1 p -130.22 5.09 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -164.41 143.56 7.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.862 HD22 HG21 ' A' ' 14' ' ' VAL . 6.8 tp -99.93 142.31 31.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 123.54 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.85 102.96 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.4 mttp -105.42 132.19 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 1.014 HG13 HG22 ' A' ' 35' ' ' VAL . 4.0 mp -102.27 142.73 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.154 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 78.5 m-85 -143.28 -158.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.738 ' HB3' HG13 ' A' ' 82' ' ' VAL . 14.2 t0 -124.9 126.02 44.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 -29.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 22.0 t70 -70.66 -54.75 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.738 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.4 m -68.93 -163.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.623 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -140.4 155.02 24.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.629 HG21 ' OE1' ' A' ' 36' ' ' GLN . 6.0 p -40.26 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' GLY . 59.7 mt-10 -116.07 82.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.28 -69.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.83 114.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.154 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -93.64 117.85 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.833 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.91 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.47 178.42 46.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -149.07 176.93 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.682 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -161.34 141.97 11.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 23.7 m -100.1 114.72 28.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.0 mt -108.46 100.15 36.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.03 136.75 20.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.619 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 21.2 mt -96.51 6.04 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.716 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.7 tt0 -62.69 -39.83 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -28.47 9.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG22 ' H ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -83.56 -10.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.619 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -92.19 -34.83 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.716 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.3 m -88.87 -35.37 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 101' ' ' VAL . 5.1 mm-40 -86.27 -29.38 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.99 -8.52 50.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 83.7 p -168.48 130.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.476 HG23 ' HD2' ' A' ' 106' ' ' PRO . 16.3 mm -125.03 137.11 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.476 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.628 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 18.2 Cg_endo -74.98 111.13 3.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -124.78 158.4 33.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -89.73 112.37 23.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 90.9 m-85 -89.54 135.81 33.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.95 124.28 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.682 HG22 ' HB2' ' A' ' 92' ' ' ALA . 49.5 t -109.61 112.61 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.89 172.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 45.5 tptt -146.3 90.23 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.687 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 76.5 m-20 81.96 -21.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.539 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.25 -21.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -86.49 137.54 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.739 ' HE2' HD11 ' A' ' 22' ' ' LEU . 64.7 t80 -77.89 101.74 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.554 ' HB2' HG12 ' A' ' 112' ' ' VAL . 7.4 mmpt? -68.49 -42.15 79.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.487 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 170.09 -130.01 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.55 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.5 pt-20 -145.0 143.27 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.794 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.61 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.4 tt -114.4 118.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.471 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 33.9 m95 -78.38 120.67 23.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.604 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 4.6 t -141.79 165.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 107' ' ' PRO . . . -152.63 122.71 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -109.1 140.65 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -134.95 88.49 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.721 ' H ' HG22 ' A' ' 99' ' ' VAL . 26.7 t80 -63.94 159.9 18.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -143.21 88.67 8.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.21 26.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.9 m -81.26 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -116.62 -143.5 7.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 62.97 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 87.1 p -89.97 110.56 21.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.32 164.38 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.64 149.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -175.13 118.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.69 -144.75 16.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -86.03 155.12 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -128.31 89.89 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.02 -167.32 27.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.8 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 113.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.96 -136.92 3.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.501 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 50.0 m -125.48 146.9 49.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.956 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -109.0 148.21 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.874 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.1 tt0 -131.23 110.31 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.987 HG21 HD22 ' A' ' 73' ' ' LEU . 24.9 t -105.38 109.4 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.739 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 96.8 t -96.51 92.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.902 HD13 ' CB ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -64.62 102.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG12 ' N ' ' A' ' 18' ' ' SER . 7.7 t -81.04 -85.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.66 ' N ' HG12 ' A' ' 17' ' ' VAL . 9.9 p -151.55 -170.19 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.84 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -157.9 136.44 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.1 mttm -112.3 156.71 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -124.43 54.02 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 118' ' ' TYR . 51.8 mt 45.04 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.65 8.5 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.2 41.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 21' ' ' GLY . . . -145.77 128.34 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 8.6 p-10 -82.39 50.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.747 ' CE1' HD13 ' A' ' 28' ' ' LEU . 31.5 t80 -104.68 128.52 52.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER 67.01 20.09 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' MET . 5.3 t-20 -60.75 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.1 74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.1 ptm -149.33 -172.69 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.6 m-20 -132.41 62.99 66.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.0 164.0 34.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 50.7 p90 -143.27 146.02 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.451 HG23 ' CH2' ' A' ' 58' ' ' TRP . 98.4 t -91.19 147.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' OE1' HG21 ' A' ' 84' ' ' THR . 14.4 tt0 -140.29 107.28 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.809 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -76.02 165.45 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.832 HG23 ' HB3' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -149.02 127.14 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' HG21 ' A' ' 70' ' ' THR . 1.8 t -142.45 89.2 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.1 OUTLIER 60.16 96.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' ARG . 76.9 p 32.36 38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -147.04 112.36 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.832 ' HB3' HG23 ' A' ' 38' ' ' THR . 3.1 p30 -125.61 165.34 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 69.1 mt-30 -152.52 120.79 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 20.2 mtmt -86.04 154.77 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.632 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.33 171.11 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -48.37 152.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.551 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.3 t -78.7 133.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.21 82.66 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.7 mt-10 -73.79 119.41 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.87 64.65 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.24 -32.16 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 105.79 -171.67 18.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -65.12 -9.88 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.498 HG22 ' CG ' ' A' ' 20' ' ' LYS . 20.4 p -126.81 72.54 75.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HD2' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 131.08 13.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 60.1 mp0 -108.19 125.75 52.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.902 ' CB ' HD13 ' A' ' 16' ' ' LEU . 19.6 m-90 -104.3 -46.76 4.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 108.004 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER 54.12 34.98 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -84.55 -177.48 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -150.8 122.63 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.809 ' CD1' HD23 ' A' ' 37' ' ' LEU . 81.4 m-85 -121.16 147.1 46.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.501 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 4.5 mm -118.55 143.14 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.587 ' HD2' HD12 ' A' ' 12' ' ' LEU . 73.4 m-85 -142.3 154.22 44.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -93.65 129.18 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.752 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 26.8 t -114.19 149.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -156.64 -76.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -145.13 145.58 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.22 -58.15 4.74 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.496 HG21 ' SG ' ' A' ' 39' ' ' CYS . 17.4 m -70.41 105.27 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 p -131.55 12.92 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.25 153.45 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.987 HD22 HG21 ' A' ' 14' ' ' VAL . 3.8 tp -112.86 139.88 48.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 127.98 53.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -121.58 114.43 21.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 12.9 mttp -117.73 141.23 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.7 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.4 mp -116.44 149.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.792 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 5.6 m-85 -147.97 -154.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' VAL . 28.4 t70 -121.26 136.94 54.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.47 ' HE3' ' CB ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -45.63 -29.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 3.8 t0 -99.5 40.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 86' ' ' ASP . 52.5 t -152.33 148.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -92.73 139.73 14.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.607 HG21 ' OE1' ' A' ' 36' ' ' GLN . 9.3 p -35.73 -37.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.34 63.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.563 ' HB3' HG13 ' A' ' 82' ' ' VAL . 2.0 t0 -140.52 -52.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -177.72 109.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.792 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -87.16 135.39 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.7 ' CG2' HG22 ' A' ' 77' ' ' ILE . 2.9 m -71.29 -35.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.415 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -169.61 164.87 38.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -145.39 167.24 23.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -154.48 151.47 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.0 m -107.73 112.16 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.008 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.0 mt -107.04 102.53 43.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 137.97 22.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.618 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.9 mt -99.74 3.87 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.705 ' O ' HG13 ' A' ' 101' ' ' VAL . 3.9 tt0 -62.74 -40.15 61.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.6 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.586 HG23 HG12 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -76.28 -11.02 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.752 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 16.0 m-30 -93.45 -29.89 15.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.2 m -92.56 -36.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.4 mm-40 -84.45 -33.11 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.09 -8.95 71.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -172.84 130.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.586 HG12 HG23 ' A' ' 99' ' ' VAL . 5.0 mm -125.44 140.15 35.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.95 170.81 19.58 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -117.16 149.77 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.892 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -81.8 103.3 11.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.504 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.4 m-85 -82.24 134.75 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -47.01 128.97 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 92' ' ' ALA . 42.3 t -113.91 114.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.93 171.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 10.4 tppt? -152.31 90.75 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 90.12 -26.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 154.95 -19.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -85.41 137.66 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.467 ' CD2' HD11 ' A' ' 22' ' ' LEU . 59.2 t80 -77.23 100.4 5.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.587 ' HB2' HG12 ' A' ' 112' ' ' VAL . 1.7 mmpt? -66.0 -59.1 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -173.75 -124.32 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.677 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 8.8 pt-20 -150.15 145.72 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.84 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.0 tt -116.67 122.54 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.892 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.6 m95 -84.79 123.15 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.533 ' CG1' HG13 ' A' ' 14' ' ' VAL . 25.1 t -153.09 137.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.739 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -103.32 142.95 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.008 HD11 ' CG2' ' A' ' 94' ' ' ILE . 19.0 mt -117.11 133.58 55.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.54 102.68 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 99' ' ' VAL . 36.2 t80 -85.18 153.8 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 40.8 mttp -137.52 91.26 14.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.56 29.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 81.23 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.03 -146.72 2.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 85.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.58 145.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.2 p -80.24 110.1 15.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 151.21 37.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -101.51 147.84 25.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.38 142.15 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -162.28 129.1 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.01 163.02 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.69 -175.66 40.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -178.35 127.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.41 -150.58 18.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 19.0 m -111.6 151.04 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.946 HD11 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -113.25 141.44 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.671 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -124.48 109.5 13.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.129 HG21 HD22 ' A' ' 73' ' ' LEU . 30.3 t -98.86 123.43 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.16 91.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.76 94.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 107' ' ' PRO . 73.2 t -72.14 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -149.4 -174.16 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -151.6 130.96 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.866 ' CG ' HG22 ' A' ' 55' ' ' THR . 4.7 mttt -112.8 138.71 49.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.57 -151.9 14.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.776 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 52.5 mt -107.51 165.55 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.42 -18.59 33.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -127.83 46.42 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -162.42 132.42 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -85.18 90.25 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -130.05 120.67 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.696 HD22 ' CG ' ' A' ' 33' ' ' PRO . 39.0 mt 69.66 32.7 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' LEU . 1.8 t-20 -60.6 -145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.97 74.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.433 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 5.1 ptm -146.97 -174.62 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 23.9 m-20 -121.94 74.54 37.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.696 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 172.12 16.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 26.4 p90 -168.51 135.01 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.709 HG22 HG13 ' A' ' 77' ' ' ILE . 98.1 t -91.18 146.87 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -115.3 96.53 5.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.823 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.9 119.41 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 73' ' ' LEU . 39.0 m -124.94 138.3 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -141.47 89.36 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.235 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 65.81 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 p -111.44 -5.66 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -92.67 116.6 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.77 118.65 30.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' LEU . 51.1 mt-30 -137.64 127.08 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -100.35 165.53 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.67 159.95 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 58' ' ' TRP . 4.5 m120 -47.9 148.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 80' ' ' LYS . 14.2 t -74.61 132.83 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.46 88.87 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.09 132.62 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.01 64.13 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.541 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -112.5 -31.96 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.033 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 97.17 -156.75 20.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 p -81.87 10.59 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.866 HG22 ' CG ' ' A' ' 20' ' ' LYS . 9.0 p -140.32 64.27 24.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.3 Cg_endo -74.97 149.43 36.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -124.42 166.19 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 23.7 m-90 -145.78 -48.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m120 56.1 32.91 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.41 -172.86 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 m -152.74 120.37 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.823 ' CG ' HD23 ' A' ' 37' ' ' LEU . 20.7 m-85 -118.13 138.25 52.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.6 mm -109.77 147.42 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 71.7 m-85 -148.52 123.13 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -62.14 128.55 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 20.1 t -111.92 141.88 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -158.19 -60.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.64 137.03 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.05 -50.45 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.5 m -66.57 94.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -132.98 8.76 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -161.17 145.41 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.129 HD22 HG21 ' A' ' 14' ' ' VAL . 14.3 tp -104.76 145.72 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.48 123.42 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.42 102.78 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 11.2 mttm -102.16 120.98 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 1.01 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.4 mp -82.93 131.23 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.891 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 61.3 m-85 -134.38 -173.91 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' VAL . 9.1 t70 -124.86 130.52 52.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.566 ' HD3' HG11 ' A' ' 48' ' ' VAL . 3.5 ttpt -43.26 -37.9 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.569 ' O ' HG23 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -88.91 42.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 81' ' ' ASP . 53.6 t -157.82 146.91 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -92.17 134.96 12.48 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -38.62 -31.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' GLY . 36.7 mt-10 -104.7 50.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.502 ' HB3' HG13 ' A' ' 82' ' ' VAL . 26.5 t0 -129.71 -63.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.54 114.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.891 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -82.84 116.26 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.01 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.88 -27.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 179.58 -179.88 48.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.48 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.93 170.16 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.731 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -155.64 151.94 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 m -111.95 114.24 27.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.675 HG22 HD11 ' A' ' 126' ' ' LEU . 3.1 mt -109.39 99.59 37.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -74.96 137.76 22.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD13 ' HG ' ' A' ' 12' ' ' LEU . 3.1 mt -98.8 14.85 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.796 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -74.22 -32.72 1.51 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.01 -25.95 11.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.897 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -90.44 -26.02 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.672 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 9.0 m-30 -68.6 -29.49 68.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.7 m -95.87 -48.2 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.4 mm-40 -72.14 -42.88 65.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.88 -10.98 66.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.3 p -168.59 126.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.897 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.3 mm -126.39 140.76 38.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.574 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.97 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -119.2 141.87 48.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.802 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -71.06 100.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 94' ' ' ILE . 53.2 m-85 -80.19 135.18 36.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.66 122.09 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.731 HG22 ' HB2' ' A' ' 92' ' ' ALA . 22.6 t -107.02 111.13 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.539 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.26 171.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -148.35 94.05 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 5.5 t0 85.81 -26.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.06 -21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.539 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.31 151.55 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.727 ' HE2' HD21 ' A' ' 22' ' ' LEU . 67.9 t80 -89.26 119.05 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.484 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.9 mmpt? -89.86 -52.16 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.33 -135.45 2.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.758 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 9.1 pt-20 -143.8 147.73 34.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 19' ' ' ALA . 9.7 tt -119.98 122.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.802 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 33.8 m95 -84.23 124.36 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 5.9 t -151.56 134.97 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -117.46 134.21 55.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.73 ' HB2' HG11 ' A' ' 99' ' ' VAL . 2.8 mt -106.05 161.33 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.22 74.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 35.0 t80 -55.62 157.83 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -141.68 91.01 8.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.99 29.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.6 m -74.52 57.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.28 -146.14 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 172.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.77 -57.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.572 1.17 . . . . 0.0 110.968 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.49 123.93 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 123.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.56 147.8 6.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.85 93.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -176.49 151.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -175.81 44.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.769 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -176.77 126.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.02 -115.15 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.514 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 22.3 m -141.03 158.23 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' HG21 ' A' ' 66' ' ' VAL . 4.4 tp -124.44 144.8 49.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.6 tt0 -121.12 119.09 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.596 HG11 ' HG ' ' A' ' 37' ' ' LEU . 73.7 t -110.81 114.19 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.787 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.3 t -105.78 95.91 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 35' ' ' VAL . 21.5 tp -73.25 90.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 107' ' ' PRO . 47.9 t -66.09 -86.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 17' ' ' VAL . 4.9 p -150.51 -169.98 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -155.57 136.97 14.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -122.45 150.32 42.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.07 -173.93 33.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.712 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 3.5 mm? -65.94 -170.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -85.33 -36.21 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -134.91 61.29 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -147.35 124.8 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 105.08 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -143.61 110.2 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 77' ' ' ILE . 1.6 mt 70.26 52.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.626 ' HB2' HG22 ' A' ' 54' ' ' THR . 19.2 t-20 -131.12 126.1 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.81 35.93 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.405 ' HE1' HD23 ' A' ' 28' ' ' LEU . 8.5 ptm -154.05 -179.83 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.5 m-20 -128.94 72.82 81.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.1 Cg_endo -75.06 155.78 42.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 46.6 p90 -141.06 147.73 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 16' ' ' LEU . 49.8 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 34.9 tt0 -130.65 97.37 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -65.23 151.19 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 42' ' ' GLN . 7.5 m -149.02 125.41 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -142.4 86.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.0 OUTLIER 56.01 115.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' ARG . 44.7 p 32.45 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.846 ' O ' HG23 ' A' ' 38' ' ' THR . 14.2 mt-30 -135.44 145.03 46.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 4.3 p30 -149.37 121.15 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.592 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -133.08 120.97 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 28.9 mtpt -103.6 155.98 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.581 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 7.2 p -111.35 176.33 5.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -48.54 153.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 80' ' ' LYS . 12.1 t -86.9 111.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -58.78 85.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' VAL . 43.0 mt-10 -78.35 120.24 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.72 64.82 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -31.8 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 107.16 -163.28 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.626 HG22 ' HB2' ' A' ' 29' ' ' ASN . 41.3 p -75.3 0.29 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.533 HG22 ' CG ' ' A' ' 20' ' ' LYS . 10.6 p -130.49 69.36 82.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 137.04 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.26 140.02 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.581 ' CD1' ' OG ' ' A' ' 46' ' ' SER . 24.0 m-90 -120.93 -44.59 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 49.79 30.38 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -85.98 179.87 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -145.19 124.03 12.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.695 ' CD2' HD23 ' A' ' 37' ' ' LEU . 99.0 m-85 -119.64 152.41 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 7.4 mm -124.46 141.55 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 69.5 m-85 -136.05 154.75 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -90.24 110.55 21.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 12' ' ' LEU . 14.9 t -93.71 112.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 68' ' ' GLU . 5.2 t -153.08 85.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' SER . 19.5 tt0 57.22 155.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 -54.95 2.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -69.72 111.55 5.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.644 ' C ' HD22 ' A' ' 96' ' ' LEU . 16.6 p -140.34 14.85 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.841 ' N ' HD22 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -175.59 146.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 37' ' ' LEU . 4.7 tp -102.35 142.36 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 115.0 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -104.98 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 15.3 mttp -122.24 116.14 23.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.94 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -83.76 135.44 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.944 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 76.4 m-85 -133.56 -171.11 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.508 ' OD1' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -123.26 129.54 51.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.92 -42.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 82' ' ' VAL . 10.4 m-20 -86.68 44.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 81' ' ' ASP . 72.9 t -158.07 150.5 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -92.83 133.06 11.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.498 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 20.6 p -38.17 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.4 pt-20 -107.36 54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 62.0 t0 -133.8 -59.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.68 121.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.944 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -92.06 115.96 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.94 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -42.54 -28.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.66 176.95 48.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.1 pp20? -150.48 165.59 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.818 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.41 151.26 32.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 m -107.24 113.3 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.923 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -110.27 97.68 32.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.887 ' C ' HD13 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 150.45 38.2 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.951 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -105.54 -4.41 21.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 101' ' ' VAL . 2.3 tt0 -52.81 -42.77 91.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -26.23 11.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -89.43 -7.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 10.4 m-30 -92.82 -35.14 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.6 m -85.11 -36.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.507 ' HG2' HG23 ' A' ' 101' ' ' VAL . 2.9 mm-40 -83.67 -48.41 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.99 -9.74 55.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.1 p -169.02 130.01 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 99' ' ' VAL . 5.2 mm -127.9 140.4 38.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.02 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.611 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 103.34 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.56 149.8 30.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.729 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -79.22 105.03 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CD2' HG12 ' A' ' 94' ' ' ILE . 68.2 m-85 -85.62 135.68 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -50.78 126.63 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 92' ' ' ALA . 38.4 t -112.97 113.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.444 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.04 169.38 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 15.1 tptt -140.96 88.12 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 3.8 t0 86.12 -21.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.0 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.444 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -88.43 135.97 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.459 ' CD2' HD11 ' A' ' 22' ' ' LEU . 63.3 t80 -75.2 112.74 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 9.9 mmpt? -84.93 -26.59 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 156.65 -144.55 10.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.63 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 6.3 pt-20 -133.26 148.55 51.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.593 ' HB ' HG21 ' A' ' 112' ' ' VAL . 9.7 tt -120.55 124.96 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.729 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 38.2 m95 -86.73 123.81 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.2 t -151.18 143.27 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -111.04 147.91 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.923 HD11 ' CG2' ' A' ' 94' ' ' ILE . 18.3 mt -123.46 139.88 53.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.18 95.65 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 99' ' ' VAL . 40.5 t80 -74.54 139.5 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -125.63 95.1 41.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.4 Cg_endo -74.94 133.18 16.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t -58.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . -76.71 -144.92 1.77 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.76 29.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t 76.3 169.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.8 m -173.09 168.06 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -177.87 106.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -167.9 104.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.24 160.52 10.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.58 154.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -158.52 169.26 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.62 -164.36 26.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 128' ' ' PHE . 18.1 Cg_endo -75.02 -172.59 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.561 1.821 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -170.34 126.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.49 -139.59 5.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 33.7 m -114.7 154.52 28.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.8 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 66' ' ' VAL . 3.9 tp -119.4 150.33 40.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.4 tt0 -129.0 120.72 26.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.672 HG21 HD22 ' A' ' 73' ' ' LEU . 52.5 t -113.35 108.21 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.4 t -98.66 104.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.427 HD11 HG21 ' A' ' 35' ' ' VAL . 41.9 tp -82.71 93.98 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.57 -86.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 3.5 p -149.26 -172.2 4.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -154.32 119.27 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -109.79 159.77 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.55 -167.43 19.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 118' ' ' TYR . 1.5 mm? -86.29 -159.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -81.49 -51.05 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 49.6 m-20 -108.62 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.1 117.58 14.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 26' ' ' ASP . 22.7 t70 -85.67 46.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.654 ' CE2' HD11 ' A' ' 28' ' ' LEU . 19.3 t80 -91.15 118.1 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD11 ' CE2' ' A' ' 27' ' ' PHE . 5.4 mt 66.28 60.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -130.35 124.51 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 53.75 58.27 5.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 33' ' ' PRO . 10.6 ptm -166.34 -179.4 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.714 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.3 m-20 -126.88 71.27 74.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.99 149.15 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 49.0 p90 -140.21 145.24 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 77' ' ' ILE . 60.8 t -91.67 144.47 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 37.8 tt0 -123.23 95.78 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.706 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.27 129.88 41.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.713 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.9 m -127.7 133.99 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -139.88 89.41 2.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 64.18 -86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -118.16 0.42 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.57 126.47 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -128.91 130.66 47.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -148.13 124.34 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 1.4 mtpt -100.18 165.11 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -111.22 169.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -48.52 160.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.714 HG13 ' HB3' ' A' ' 32' ' ' ASP . 3.7 t -88.68 120.48 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -68.98 85.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HG3' HG12 ' A' ' 48' ' ' VAL . 19.9 mt-10 -75.14 112.21 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.21 68.82 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.83 -31.94 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.41 -154.69 16.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.0 p -83.31 1.15 42.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -134.89 67.83 70.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.03 126.9 10.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 mt-10 -101.78 137.23 40.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -114.88 -39.84 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 48.25 32.1 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -87.8 179.53 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -147.39 119.97 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 85.8 m-85 -115.87 151.53 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.57 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -124.67 142.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 74.3 m-85 -144.35 130.5 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -66.43 129.52 40.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.507 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 94.0 t -110.79 149.85 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 p -175.75 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.33 145.88 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.42 -56.04 4.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.472 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 2.6 m -57.34 96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 110.363 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.624 ' C ' HD22 ' A' ' 96' ' ' LEU . 3.5 p -132.45 12.61 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.856 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pt-20 -178.24 144.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 38' ' ' THR . 12.2 tp -101.27 146.39 27.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 116.35 31.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -106.05 104.64 14.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 22.4 mttp -109.36 116.51 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 1.004 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -83.86 130.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.868 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 45.1 m-85 -128.24 -173.12 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 82' ' ' VAL . 52.1 t0 -125.5 128.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -37.83 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 79' ' ' ASP . 6.2 m-20 -62.01 -56.18 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.665 HG22 ' HB2' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -67.04 -168.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.673 ' C ' HG23 ' A' ' 84' ' ' THR . . . -151.76 49.0 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.673 HG23 ' C ' ' A' ' 83' ' ' GLY . 1.2 p 65.52 -55.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLY . 24.0 mt-10 -78.07 76.42 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.665 ' HB2' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.71 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.07 136.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -103.4 122.21 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.004 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -40.54 -29.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.449 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.25 176.5 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -150.11 167.81 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.708 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -154.08 154.32 33.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.9 m -111.15 114.53 27.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.861 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -111.28 97.36 35.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.893 ' C ' HD13 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.07 150.74 38.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -106.17 -3.41 21.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.664 ' O ' HG13 ' A' ' 101' ' ' VAL . 2.4 tt0 -51.65 -42.96 86.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.04 -29.58 8.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.813 HG23 HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -85.21 -4.86 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 11.0 m-30 -97.91 -30.05 12.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.3 m -93.68 -34.8 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HB2' HD11 ' A' ' 105' ' ' ILE . 11.0 mm-40 -81.8 -49.36 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.19 -6.47 50.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.462 ' O ' HD13 ' A' ' 105' ' ' ILE . 95.3 p -176.81 122.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.813 HG12 HG23 ' A' ' 99' ' ' VAL . 31.7 mm -116.22 140.17 26.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 168.08 25.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.95 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.75 148.4 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.819 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -75.9 105.36 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 122' ' ' ILE . 69.9 m-85 -83.27 140.13 32.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.17 131.6 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.708 HG22 ' HB2' ' A' ' 92' ' ' ALA . 53.9 t -119.22 112.5 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.23 169.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 44.1 tptt -143.12 89.34 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.561 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 4.5 t0 87.05 -22.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.561 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.12 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.7 138.09 31.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.803 ' HE2' HD11 ' A' ' 22' ' ' LEU . 65.0 t80 -77.36 111.61 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 7.4 mmpt? -80.12 -36.48 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 167.19 -139.94 6.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.7 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 10.8 pt-20 -135.66 148.56 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.556 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.5 tt -120.72 119.99 61.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.819 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.3 m95 -82.27 124.53 30.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 13.3 t -152.25 149.73 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.639 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -119.23 143.47 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.861 HD11 ' CG2' ' A' ' 94' ' ' ILE . 16.5 mt -116.96 134.33 54.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.12 105.56 5.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.48 ' HB2' HG13 ' A' ' 99' ' ' VAL . 29.3 t80 -87.91 141.98 28.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -129.03 93.81 35.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.9 p -59.24 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -98.88 -148.94 24.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.5 p -133.82 150.46 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.0 m -77.88 109.31 11.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 61.93 131.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.3 145.15 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.77 155.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.69 97.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.56 167.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.17 -176.65 51.75 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 173.46 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.62 -142.74 7.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 88.3 m -112.66 145.45 40.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.954 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -115.04 143.83 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.903 ' N ' HD22 ' A' ' 12' ' ' LEU . 1.8 tt0 -120.69 123.76 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.954 ' CG2' HD11 ' A' ' 12' ' ' LEU . 61.6 t -115.34 111.27 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 44.9 t -100.95 90.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.66 91.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 18' ' ' SER . 54.4 t -69.09 -86.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 57' ' ' GLU . 83.8 p -154.31 -176.33 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -140.12 157.26 45.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.21 146.89 51.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.17 158.19 14.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.671 HD21 ' CD2' ' A' ' 118' ' ' TYR . 1.1 mm? -58.95 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.31 -26.86 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.38 56.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.32 121.89 9.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.1 61.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.657 ' CD1' HD13 ' A' ' 28' ' ' LEU . 34.2 t80 -122.8 122.77 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.657 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER 64.6 76.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -157.86 124.22 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 t30 54.74 49.76 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.9 ptm -160.94 -179.21 7.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.611 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 79.9 m-20 -137.69 74.12 46.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.99 169.52 22.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.9 p90 -153.01 144.68 23.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 122' ' ' ILE . 19.7 t -90.06 141.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 9.4 tt0 -122.3 95.65 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.921 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.4 118.16 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.924 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.9 m -114.15 137.28 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 3.4 t -141.68 105.93 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.95 -95.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.41 -21.62 8.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.569 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 4.6 pt20 -91.51 125.62 36.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.733 ' HB3' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -132.75 136.04 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -133.23 122.22 23.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -110.88 165.39 11.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.08 166.48 10.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -49.72 178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.611 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 5.7 m -88.73 148.86 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.861 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -77.65 82.78 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLY . 21.5 mt-10 -64.23 128.82 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.04 73.31 0.1 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.861 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 mmt -115.92 -32.87 5.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.11 -127.13 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' LEU . 1.4 p -105.52 12.26 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.394 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 1.2 p -141.62 75.53 21.86 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.5 Cg_endo -74.95 123.69 8.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 18' ' ' SER . 9.4 tt0 -118.6 130.13 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.458 ' CH2' ' HB2' ' A' ' 56' ' ' PRO . 12.4 m-90 -109.04 -50.24 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 m120 61.95 40.75 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -98.08 -173.75 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m -147.81 126.93 12.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.616 ' CD2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -125.31 134.19 52.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.1 mm -106.77 155.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 19.6 m-85 -147.71 -178.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -122.64 100.03 6.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 t -82.4 152.9 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 p -145.75 -86.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -142.5 154.38 44.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.19 -55.3 2.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.8 m -66.32 95.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 p -123.87 27.68 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.7 OUTLIER -164.71 155.92 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 38' ' ' THR . 6.8 tp -117.46 145.23 44.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -106.63 122.92 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -117.96 104.92 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 18.1 mttp -107.2 127.61 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.724 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -86.74 137.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.049 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 96.3 m-85 -143.71 140.1 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.682 ' O ' HG12 ' A' ' 82' ' ' VAL . 32.1 t0 -65.52 167.86 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -73.63 -4.36 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.18 57.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.6 p -161.61 166.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.519 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -119.23 137.47 12.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.502 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 62.9 p -33.62 -37.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' GLY . 43.6 mt-10 -104.47 65.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 8.1 t0 -147.88 -68.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.25 123.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.049 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -102.79 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.724 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -41.39 -29.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -176.85 175.52 47.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -149.0 166.16 29.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.37 142.84 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.5 m -97.81 116.62 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.992 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.6 mt -110.38 97.81 33.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -75.0 136.07 19.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.578 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.8 mt -97.39 4.32 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -62.03 -40.68 70.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.665 ' O ' HD11 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.0 -23.51 13.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.776 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -90.6 -2.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 14.1 m-30 -100.47 -33.78 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.5 m -90.65 -29.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.87 -43.12 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.55 -12.18 66.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.569 ' O ' HD13 ' A' ' 105' ' ' ILE . 4.2 m -165.19 131.48 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 99' ' ' VAL . 42.3 mm -125.43 138.73 32.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.482 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 m -116.81 151.54 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.89 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -86.57 110.97 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' HG12 ' A' ' 94' ' ' ILE . 74.8 m-85 -88.09 126.73 35.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.2 OUTLIER -39.92 123.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.65 HG12 ' HB2' ' A' ' 119' ' ' LYS . 15.1 t -104.88 98.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -105.44 166.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.1 OUTLIER -141.99 90.63 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.562 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 3.4 t70 84.34 -22.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.12 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.4 mt-10 -86.29 135.69 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.671 ' CD2' HD21 ' A' ' 22' ' ' LEU . 33.3 t80 -77.19 110.96 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.65 ' HB2' HG12 ' A' ' 112' ' ' VAL . 10.9 mmpt? -86.5 -23.04 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.552 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 153.29 -123.7 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.53 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.9 pt-20 -156.27 159.35 38.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 35' ' ' VAL . 19.4 tt -127.07 125.07 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.89 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 34.8 m95 -88.6 123.58 33.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.481 HG23 ' C ' ' A' ' 123' ' ' TRP . 48.8 t -155.4 132.63 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.67 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -100.21 145.41 28.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.992 HD11 ' CG2' ' A' ' 94' ' ' ILE . 16.2 mt -121.37 142.99 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 m -148.26 100.01 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.518 ' HB2' HG13 ' A' ' 99' ' ' VAL . 34.5 t80 -79.66 155.83 27.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -142.26 91.33 7.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.9 t -80.03 84.85 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -112.78 -146.32 9.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 68.4 m -134.72 90.05 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.4 162.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.64 -59.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.58 126.98 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.16 -170.7 26.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -129.19 138.95 52.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -136.02 162.95 31.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.59 166.97 17.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.87 128.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.16 -138.76 5.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.9 m -109.71 153.81 23.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.839 HD11 HD22 ' A' ' 96' ' ' LEU . 1.2 tp -127.06 145.64 50.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.489 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -116.68 128.45 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG11 ' HG ' ' A' ' 37' ' ' LEU . 85.9 t -118.87 107.36 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 39.0 t -99.75 90.88 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD21 ' HB ' ' A' ' 35' ' ' VAL . 22.1 tp -72.49 85.22 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 18' ' ' SER . 67.2 t -62.52 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.469 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 30.8 t -155.06 -169.4 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -155.66 139.7 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 55' ' ' THR . 4.7 mttt -123.2 144.27 49.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.4 -149.59 21.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.645 HD21 ' HE2' ' A' ' 118' ' ' TYR . 17.4 mt -113.22 -179.71 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -11.71 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.65 42.07 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.58 115.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.7 t0 -77.49 104.05 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.1 t80 -141.3 119.72 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.84 HD13 ' CG ' ' A' ' 56' ' ' PRO . 50.0 mt 71.36 35.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' MET . 4.0 t-20 -59.02 -151.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -68.32 68.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.491 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -137.71 -173.77 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.556 ' CA ' ' O ' ' A' ' 48' ' ' VAL . 18.4 m-20 -121.08 71.95 23.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.699 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.94 172.97 15.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 19.4 p90 -162.45 139.76 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.537 HG23 ' CH2' ' A' ' 58' ' ' TRP . 55.6 t -89.88 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' CB ' ' HG2' ' A' ' 45' ' ' LYS . 35.5 tt0 -128.6 98.4 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -68.57 157.09 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.749 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.6 m -153.38 134.36 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -142.04 91.13 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.26 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.26 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 p -122.75 42.39 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' CYS . 3.7 pt20 -153.45 121.79 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' HG23 ' A' ' 38' ' ' THR . 1.2 p30 -127.7 149.66 50.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -144.62 122.14 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 27.0 mtmm -104.93 155.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.476 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.08 -175.26 2.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 46' ' ' SER . 9.5 m-20 -48.0 177.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.631 ' O ' ' C ' ' A' ' 49' ' ' ALA . 27.8 m -102.98 39.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 20.08 73.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 51' ' ' GLY . 20.3 mt-10 -61.32 111.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 34.25 97.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.476 ' HG2' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -116.22 -34.38 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 55' ' ' THR . . . 102.51 76.78 1.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.52 ' C ' HG23 ' A' ' 55' ' ' THR . 16.7 p 40.75 27.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.52 HG23 ' C ' ' A' ' 54' ' ' THR . 36.9 p -157.22 73.61 4.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.84 ' CG ' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 105.33 2.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 5.2 tt0 -102.16 140.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.584 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 24.0 m-90 -121.22 -51.51 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.04 33.32 17.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -172.97 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -147.0 120.82 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CD2' HD23 ' A' ' 37' ' ' LEU . 45.7 m-85 -124.48 116.25 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 15.4 mm -83.28 146.21 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HB2' HD23 ' A' ' 12' ' ' LEU . 49.7 m-85 -137.07 126.2 24.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -67.34 120.07 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 12' ' ' LEU . 98.7 t -104.84 140.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -153.86 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.47 143.93 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.05 -41.17 3.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.409 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 6.8 m -69.23 88.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -115.36 -15.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.3 pt-20 -145.31 159.83 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 38' ' ' THR . 16.2 tp -115.08 145.18 42.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -111.06 125.49 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.75 106.87 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 7.6 mttp -105.94 126.45 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 1.008 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -84.47 142.02 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CE2' ' HA ' ' A' ' 84' ' ' THR . 87.9 m-85 -141.84 -170.83 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.489 ' HB2' HG21 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -131.96 140.95 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 22.1 tttt -42.3 -38.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 82' ' ' VAL . 2.0 m-20 -106.7 71.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.641 HG12 ' N ' ' A' ' 83' ' ' GLY . 6.1 t -153.79 -83.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.641 ' N ' HG12 ' A' ' 82' ' ' VAL . . . 123.59 130.56 3.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.599 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 21.0 p -46.72 -27.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ASP . 2.1 mt-10 -90.89 -48.79 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' GLU . 4.2 t0 -34.43 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' O ' HG11 ' A' ' 82' ' ' VAL . 34.4 t70 -174.45 156.16 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -110.47 117.6 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.008 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -48.72 -25.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.94 47.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -155.95 167.04 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.679 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.28 143.98 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.3 m -104.13 113.51 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.044 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -108.55 101.17 41.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.01 139.94 24.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.839 HD22 HD11 ' A' ' 12' ' ' LEU . 11.5 mt -99.19 10.71 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.715 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -68.83 -38.17 11.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -74.95 -25.4 12.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 96' ' ' LEU . 1.4 p -86.35 -5.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -96.02 -30.83 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.3 m -95.12 -32.54 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.14 -38.57 17.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.13 -7.11 81.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -175.14 123.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.506 HG23 ' HD2' ' A' ' 106' ' ' PRO . 37.4 mm -112.55 137.27 21.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.29 2.68 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.72 150.55 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.02 101.8 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CD2' HG12 ' A' ' 94' ' ' ILE . 73.6 m-85 -78.45 138.38 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.87 126.48 16.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 92' ' ' ALA . 24.7 t -112.58 112.41 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.458 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.86 169.86 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 34.9 tptt -141.58 88.99 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 1.9 t70 86.7 -22.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.26 -20.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.458 ' C ' HG12 ' A' ' 113' ' ' VAL . 1.2 mt-10 -88.1 138.04 31.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.241 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.645 ' HE2' HD21 ' A' ' 22' ' ' LEU . 67.9 t80 -76.89 118.01 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.423 ' HB2' HG12 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -87.94 -54.14 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . -171.66 -126.37 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.756 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 7.7 pt-20 -150.38 151.14 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.487 HG13 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tt -121.28 126.21 74.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.705 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 40.0 m95 -89.19 121.93 31.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 123' ' ' TRP . 31.4 t -152.48 140.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.629 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -112.71 139.17 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.044 HD11 ' CG2' ' A' ' 94' ' ' ILE . 6.2 mt -115.16 134.3 55.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -136.76 107.41 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -86.95 147.98 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -137.77 91.3 13.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 144.38 30.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.6 t -68.25 87.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.969 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.48 -145.58 0.3 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.81 2.34 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.0 p -39.82 156.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.64 -53.32 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 143.59 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.71 154.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.49 -147.51 22.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -166.05 88.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.37 163.97 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.35 -161.23 31.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -171.69 136.42 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.561 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.05 -145.9 12.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 30.5 m -114.27 148.62 37.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.914 HD22 ' H ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -115.6 145.91 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.914 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -122.99 121.81 37.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.876 ' CG2' HD11 ' A' ' 12' ' ' LEU . 86.8 t -111.31 111.17 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.825 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 56.3 t -100.79 88.31 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 35' ' ' VAL . 14.2 tp -69.87 92.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 18' ' ' SER . 38.3 t -68.45 -89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.565 ' N ' HG12 ' A' ' 17' ' ' VAL . 40.5 p -157.6 -177.73 6.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -137.34 148.37 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.63 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.0 mttm -130.16 152.74 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.37 172.41 19.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.772 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.9 mm? -70.36 -168.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -39.04 20.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -111.08 60.48 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.5 118.42 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' CG ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.51 -49.95 67.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.674 ' CG ' HD22 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 52.45 -127.64 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.674 HD22 ' CG ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -66.2 -3.27 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.575 ' HA ' HG22 ' A' ' 54' ' ' THR . 4.8 t-20 -32.84 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.05 72.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.453 ' SD ' ' HA ' ' A' ' 28' ' ' LEU . 7.8 mtp -147.56 178.78 8.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.664 ' HB3' HG13 ' A' ' 48' ' ' VAL . 11.5 m-20 -135.4 57.55 20.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 18.1 Cg_endo -75.03 166.95 28.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.5 p90 -149.12 134.27 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 77' ' ' ILE . 47.5 t -87.87 145.34 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -125.16 94.31 4.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -63.89 131.07 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.769 ' O ' HD12 ' A' ' 73' ' ' LEU . 64.7 m -128.59 138.78 52.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 70' ' ' THR . 42.1 t -142.69 115.18 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 55.92 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 47.9 p -136.79 37.89 2.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.488 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 2.8 pt20 -139.28 113.89 9.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 1.2 p-10 -111.27 154.01 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -152.71 121.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 5.1 mtmt -90.11 156.93 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -111.01 161.95 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -48.34 156.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 32' ' ' ASP . 6.0 t -81.14 128.8 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -70.37 76.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -68.98 121.83 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.83 77.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.693 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 12.2 mmt -115.45 -31.76 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 -144.22 16.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.575 HG22 ' HA ' ' A' ' 29' ' ' ASN . 9.1 p -85.61 9.1 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.63 HG22 ' CG ' ' A' ' 20' ' ' LYS . 16.7 p -140.99 81.53 16.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.548 ' O ' ' CZ3' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.03 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 5.5 tt0 -94.31 150.26 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 22.2 m-90 -126.33 -51.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 25.2 m-20 61.35 38.52 16.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.39 -173.86 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 m -151.7 121.78 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.767 ' CG ' HD23 ' A' ' 37' ' ' LEU . 34.4 m-85 -118.52 143.39 46.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.5 mm -114.66 147.82 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.649 ' HD2' HD12 ' A' ' 12' ' ' LEU . 34.7 m-85 -140.74 164.36 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 109.27 21.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.2 145.07 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -145.85 -67.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' NH1' ' A' ' 40' ' ' ARG . 8.4 pt-20 -161.89 151.12 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.78 -54.66 4.36 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' SG ' ' A' ' 39' ' ' CYS . 1.6 m -69.93 107.12 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 p -127.58 17.92 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.24 158.13 18.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 38' ' ' THR . 5.9 tp -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -103.03 123.4 46.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -119.8 110.78 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 27.2 mttp -114.75 137.61 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.665 HG22 ' CG1' ' A' ' 89' ' ' VAL . 4.8 mp -101.75 134.28 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 89.9 m-85 -137.4 146.41 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.881 ' HB3' HG13 ' A' ' 82' ' ' VAL . 41.7 t0 -76.74 135.67 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -46.67 -24.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -78.35 -40.0 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.2 m -84.6 -176.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -130.83 151.58 19.64 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 24.4 p -38.23 -32.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.1 pt-20 -118.64 84.42 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.92 -71.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -158.89 86.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -51.0 151.13 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.665 ' CG1' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -100.63 -10.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.531 ' O ' HD12 ' A' ' 77' ' ' ILE . . . 169.02 156.81 10.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -147.32 161.37 41.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.655 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.51 145.16 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 m -98.61 116.23 30.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.909 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.7 mt -109.49 99.61 37.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.29 18.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 8.9 mt -97.16 7.84 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.684 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -64.73 -39.6 40.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.03 -26.03 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -86.56 -1.75 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.8 m-30 -101.75 -30.76 11.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.7 m -95.21 -29.34 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.98 -46.92 8.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.35 -13.86 56.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -169.58 124.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 99' ' ' VAL . 36.5 mm -114.29 139.08 23.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 168.89 23.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 101.91 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -113.92 150.94 32.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.831 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.61 102.36 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.492 ' O ' HG23 ' A' ' 112' ' ' VAL . 74.6 m-85 -79.81 134.16 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -48.32 124.05 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.657 HG12 ' HB2' ' A' ' 119' ' ' LYS . 51.9 t -109.76 115.02 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -117.76 168.25 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 8.1 tppt? -147.96 89.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 8.7 t0 89.16 -25.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.51 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -83.94 136.1 34.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.772 ' HE2' HD11 ' A' ' 22' ' ' LEU . 81.7 t80 -77.72 97.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.657 ' HB2' HG12 ' A' ' 112' ' ' VAL . 6.1 mmtt -61.35 -45.23 95.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.467 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 169.78 -126.78 1.4 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.831 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 9.4 pt-20 -145.73 143.19 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.586 ' HB ' HG21 ' A' ' 112' ' ' VAL . 4.8 tt -114.28 123.12 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.745 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 45.2 m95 -85.77 122.84 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 123' ' ' TRP . 26.0 t -153.12 139.27 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.825 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -109.07 139.57 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.909 HD11 ' CG2' ' A' ' 94' ' ' ILE . 12.3 mt -114.61 133.86 55.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.74 108.83 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.46 ' HB2' HG13 ' A' ' 99' ' ' VAL . 32.4 t80 -90.74 154.98 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -139.71 90.98 10.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 142.2 27.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -95.86 58.29 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.55 -158.93 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.97 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.2 m 61.08 117.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.6 p -68.31 152.71 45.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 65.78 79.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.57 165.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.14 -73.84 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -129.85 -59.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 p -178.01 119.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.13 -163.4 41.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -172.8 134.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.4 -146.05 12.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.588 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 24.2 m -114.54 148.93 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.936 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -116.26 144.51 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.886 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -121.79 122.45 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.936 ' CG2' HD11 ' A' ' 12' ' ' LEU . 57.9 t -112.17 112.57 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.91 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.5 t -102.07 87.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.7 HD11 HG21 ' A' ' 35' ' ' VAL . 17.7 tp -69.95 91.96 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 18' ' ' SER . 72.1 t -70.68 -92.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.495 ' N ' HG12 ' A' ' 17' ' ' VAL . 5.6 p -148.66 -173.99 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -145.24 145.91 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG2' HG22 ' A' ' 55' ' ' THR . 6.5 mttt -133.49 144.19 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.29 -172.19 43.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 118' ' ' TYR . 2.4 mm? -69.35 -169.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -69.22 -47.79 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 5.7 t70 -126.02 57.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -127.76 107.93 10.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.53 78.32 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.851 ' CE2' HD11 ' A' ' 28' ' ' LEU . 18.4 t80 -120.08 112.1 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.851 HD11 ' CE2' ' A' ' 27' ' ' PHE . 7.4 mt 78.51 56.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.47 ' HB2' HG22 ' A' ' 54' ' ' THR . 40.6 t-20 -138.76 135.38 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 70.67 26.46 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 ptm -151.84 -175.35 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.595 ' HB3' HG23 ' A' ' 48' ' ' VAL . 18.4 m-20 -135.03 73.07 66.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -75.03 156.04 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.679 ' CD2' ' CD ' ' A' ' 45' ' ' LYS . 30.5 p90 -136.74 145.64 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 16' ' ' LEU . 38.1 t -91.21 142.43 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -126.96 106.78 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.786 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -80.83 144.38 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.928 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -133.87 141.24 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -142.49 87.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.784 ' C ' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER 31.88 97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.784 HG23 ' C ' ' A' ' 40' ' ' ARG . 1.4 p 75.09 -22.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' A' ' 40' ' ' ARG . 34.6 mt-30 -91.21 139.23 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.07 128.75 15.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.582 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 48.6 mt-30 -139.81 120.38 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.679 ' CD ' ' CD2' ' A' ' 34' ' ' TYR . 6.4 ttpp -120.08 156.87 30.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -110.84 166.48 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -49.51 178.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 32' ' ' ASP . 2.4 m -90.13 140.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -74.93 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 1.8 mm-40 -91.09 141.27 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.72 57.66 3.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.431 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 9.7 mmt -116.35 -32.85 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.45 -148.7 19.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 29' ' ' ASN . 1.4 p -81.42 6.86 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 20' ' ' LYS . 27.4 p -135.94 80.6 41.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.01 135.48 19.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' VAL . 11.8 tt0 -118.07 173.18 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.702 ' C ' ' ND2' ' A' ' 59' ' ' ASN . 22.6 m-90 -156.48 -38.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.702 ' ND2' ' C ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER 47.25 33.25 2.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 8.2 mm-40 -90.52 166.18 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -135.05 122.21 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.664 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.6 m-85 -116.4 147.44 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -118.27 142.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 37.0 m-85 -132.28 -172.31 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -128.53 123.89 34.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.7 t -106.63 147.85 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.3 p -157.53 -72.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -145.73 138.43 25.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.41 -54.13 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.7 m -60.79 100.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 p -131.74 6.96 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.6 153.13 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.928 HD12 ' O ' ' A' ' 38' ' ' THR . 5.7 tp -112.21 143.08 43.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -104.94 129.51 53.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 106.18 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 29.6 mttp -110.01 123.17 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.741 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.1 mp -85.07 139.45 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.093 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.5 m-85 -143.68 144.08 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -76.18 136.29 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 32' ' ' ASP . 4.7 ptmt -41.44 -34.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 2.1 t0 -90.27 45.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 85.6 t -157.52 152.43 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -102.16 138.41 13.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 10.2 p -36.9 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' GLY . 39.3 mt-10 -109.66 61.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.6 t0 -141.73 -72.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.08 118.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.093 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -91.35 115.32 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.741 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -43.78 -27.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.84 173.77 46.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -148.75 166.89 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.721 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.97 140.56 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -96.46 115.98 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.054 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.5 mt -109.29 99.67 37.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.621 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 11.6 mt -97.31 7.63 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.686 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.1 tt0 -65.1 -39.5 37.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 96' ' ' LEU . 1.3 p -79.66 -8.63 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 16.5 m-30 -96.05 -30.08 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.2 m -93.36 -33.44 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.2 mm-40 -86.57 -33.63 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.91 -8.4 76.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.1 p -175.96 131.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 3.9 mm -125.62 140.13 35.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 173.27 14.79 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 102.83 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.01 151.7 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.885 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.26 110.2 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 112' ' ' VAL . 70.5 m-85 -87.2 136.69 32.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.12 120.24 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 92' ' ' ALA . 27.5 t -107.59 110.36 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.46 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.04 169.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 5.6 tptp -143.55 89.18 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.2 t70 86.61 -22.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.13 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.46 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -88.42 138.33 31.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.669 ' CE2' HD11 ' A' ' 22' ' ' LEU . 53.0 t80 -77.27 113.07 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.515 ' HB2' HG12 ' A' ' 112' ' ' VAL . 5.3 mmpt? -83.58 -30.65 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.565 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 161.06 -137.62 5.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.885 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.1 pt-20 -138.95 148.56 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.564 ' HB ' HG21 ' A' ' 112' ' ' VAL . 7.9 tt -118.77 123.7 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.654 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 42.7 m95 -86.34 123.32 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.439 HG23 ' C ' ' A' ' 123' ' ' TRP . 30.1 t -153.33 134.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.91 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -101.7 143.4 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.054 HD11 ' CG2' ' A' ' 94' ' ' ILE . 51.5 mt -120.2 135.56 54.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.72 103.47 4.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.496 ' HB2' HG13 ' A' ' 99' ' ' VAL . 32.6 t80 -86.37 153.4 21.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -138.69 90.4 12.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.13 38.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t -84.92 83.21 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -152.44 -148.96 4.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.85 3.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.568 1.825 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.99 122.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -65.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.29 157.77 42.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -141.37 170.43 15.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.01 139.06 2.67 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.91 161.93 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -159.71 171.26 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.96 -165.11 33.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.03 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -168.39 141.1 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.05 -164.04 28.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.407 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -102.32 155.76 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.368 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.968 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -114.19 139.78 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.603 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -126.31 109.46 12.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.994 HG21 HD22 ' A' ' 73' ' ' LEU . 30.1 t -98.28 141.23 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 77.4 t -128.84 92.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ASN . 53.1 tp -67.25 94.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.687 HG21 ' HB3' ' A' ' 107' ' ' PRO . 93.7 t -74.33 -86.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.452 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 2.0 p -144.51 -178.06 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.575 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -150.4 118.27 6.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.86 ' HG3' HG22 ' A' ' 55' ' ' THR . 1.3 mttt -97.64 144.01 27.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.82 -153.5 24.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.888 HD11 ' CD2' ' A' ' 118' ' ' TYR . 95.7 mt -119.53 -173.96 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -17.4 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 12.0 t70 -124.76 50.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . . . -166.18 99.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -54.2 90.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ALA . 21.8 t80 -143.73 121.58 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' CG ' ' A' ' 33' ' ' PRO . 14.3 mt 64.26 53.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 31' ' ' MET . 29.2 t-20 -124.89 119.62 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 44.06 66.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.529 ' CE ' ' OD1' ' A' ' 79' ' ' ASP . 10.4 ptm -162.3 -174.62 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.71 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.5 m-20 -127.65 71.16 77.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.603 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 137.92 22.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 42.8 p90 -130.7 138.36 49.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG22 HG13 ' A' ' 77' ' ' ILE . 95.3 t -91.3 151.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 35.4 tt0 -131.32 99.28 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.876 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -65.91 135.43 54.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.73 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.1 m -128.04 135.89 50.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.617 ' SG ' HG21 ' A' ' 70' ' ' THR . 49.0 t -141.06 97.52 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.39 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' CYS . 11.6 p -134.92 9.29 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -100.43 114.39 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 132.46 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -147.48 123.14 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 12.5 mtpt -94.97 163.22 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -112.34 168.21 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.11 151.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.71 HG13 ' HB3' ' A' ' 32' ' ' ASP . 5.0 t -81.46 115.45 24.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -65.87 84.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG3' HG12 ' A' ' 48' ' ' VAL . 29.8 mt-10 -73.37 122.38 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.18 75.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.474 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 8.8 mmt -115.1 -32.05 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.04 -143.3 15.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 28' ' ' LEU . 69.7 p -99.13 18.08 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.86 HG22 ' HG3' ' A' ' 20' ' ' LYS . 2.4 p -150.02 65.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.02 144.85 30.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.452 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 51.8 mp0 -119.66 140.7 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.438 ' CE3' ' HG ' ' A' ' 16' ' ' LEU . 24.2 m-90 -120.95 -43.62 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 51.31 27.38 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 20.3 mm-40 -85.31 174.28 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.0 m -137.85 134.37 35.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.876 ' CD2' HD23 ' A' ' 37' ' ' LEU . 67.5 m-85 -133.56 130.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.2 mm -101.66 146.58 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 39' ' ' CYS . 65.1 m-85 -148.39 122.23 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -63.29 137.75 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.2 t -121.85 158.83 25.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -161.17 -55.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -169.55 157.31 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.4 -53.25 4.45 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.617 HG21 ' SG ' ' A' ' 39' ' ' CYS . 1.3 m -77.72 110.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.2 p -137.57 10.37 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 4.4 pt-20 -154.4 137.09 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.994 HD22 HG21 ' A' ' 14' ' ' VAL . 7.3 tp -95.23 143.01 26.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 118.98 37.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.37 100.29 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.0 mttp -99.66 120.39 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.98 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -88.25 134.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.19 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 97.6 m-85 -133.61 -153.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 82' ' ' VAL . 4.1 m-20 -150.1 129.81 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HD2' HG11 ' A' ' 48' ' ' VAL . 1.6 pttt -46.31 -23.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 76.3 m-20 -78.05 -43.36 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.764 HG23 ' N ' ' A' ' 83' ' ' GLY . 3.8 m -79.19 -142.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.764 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -165.02 153.62 23.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 61.4 p -39.03 -65.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 86' ' ' ASP . 12.5 pt-20 -66.89 -53.77 28.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' A' ' 85' ' ' GLU . 2.5 m-20 -24.32 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -172.45 139.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.19 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -103.78 128.66 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.98 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -51.74 -22.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.24 -177.46 44.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -152.7 170.11 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.796 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.78 154.78 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.5 m -110.77 111.73 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.6 HG22 HD11 ' A' ' 126' ' ' LEU . 3.6 mt -108.79 100.27 38.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -74.96 134.89 18.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.633 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -97.56 15.18 24.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.791 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 0.8 OUTLIER -74.23 -32.92 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 -25.53 11.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.911 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.5 -25.83 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 8.0 m-30 -66.49 -32.98 74.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.3 m -94.99 -51.31 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.525 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.5 mm-40 -66.4 -43.89 84.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.77 -11.38 66.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 p -167.22 129.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.911 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.5 mm -129.22 140.28 38.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.687 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 109.1 2.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.545 1.813 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.06 143.88 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.859 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -70.92 100.98 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.522 ' CD2' HG12 ' A' ' 94' ' ' ILE . 51.4 m-85 -85.88 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.42 128.65 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.5 t -112.23 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.546 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -109.48 166.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.96 96.09 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 21.6 t0 85.21 -27.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 157.69 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.546 ' C ' HG12 ' A' ' 113' ' ' VAL . 2.6 mm-40 -87.36 152.55 22.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.888 ' CD2' HD11 ' A' ' 22' ' ' LEU . 81.8 t80 -90.06 119.24 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -90.84 -46.59 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -178.53 -135.8 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.437 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 8.3 pt-20 -141.15 156.71 45.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.575 HG13 ' HB2' ' A' ' 19' ' ' ALA . 14.6 tt -128.19 121.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.859 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 35.3 m95 -85.9 116.59 24.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.03 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.9 t -142.35 143.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.488 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -124.82 136.31 53.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.799 HD23 HG22 ' A' ' 14' ' ' VAL . 1.7 mt -109.69 159.32 17.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.98 73.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 46.1 t80 -50.31 149.56 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.72 92.17 27.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 p -70.11 87.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -130.44 -144.0 5.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.5 p -159.95 166.35 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -60.01 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.49 174.82 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m 56.79 162.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.04 134.02 3.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.27 94.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 110.09 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -178.17 158.43 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.85 -162.99 33.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.5 OUTLIER 175.21 150.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' CD2' ' A' ' 9' ' ' HIS . . . 146.2 -153.19 25.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.43 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.5 m -100.9 156.25 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 96' ' ' LEU . 3.1 tp -127.8 136.84 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -113.76 107.47 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.63 HG11 HD22 ' A' ' 37' ' ' LEU . 79.9 t -96.71 117.0 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.43 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD21 ' HB ' ' A' ' 35' ' ' VAL . 56.7 tp -69.21 86.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG21 ' CB ' ' A' ' 107' ' ' PRO . 68.0 t -60.83 -90.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' HG12 ' A' ' 17' ' ' VAL . 80.5 p -156.17 -176.41 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -149.37 157.68 43.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.794 ' CB ' HG22 ' A' ' 55' ' ' THR . 1.0 OUTLIER -150.85 148.63 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.47 -169.13 35.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.782 HD11 ' HE2' ' A' ' 118' ' ' TYR . 1.6 mm? -83.85 -164.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.4 pt-20 -72.82 -52.5 14.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 40.2 t0 -111.47 61.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.39 106.17 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.72 62.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.64 ' CD1' HD13 ' A' ' 28' ' ' LEU . 28.5 t80 -121.63 128.78 52.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER 65.83 18.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -59.96 -146.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.43 74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' ASN . 8.9 ptm -154.92 -178.23 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.9 m-20 -131.35 67.33 80.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.98 154.96 42.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 38.2 p90 -133.08 147.42 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.915 HG22 HG13 ' A' ' 77' ' ' ILE . 34.5 t -92.3 147.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 31.2 tt0 -127.57 96.42 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.942 HD22 HD21 ' A' ' 73' ' ' LEU . 15.8 mt -63.15 154.05 32.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 42' ' ' GLN . 2.4 m -155.69 123.18 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -142.57 85.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 108.319 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.0 OUTLIER 55.86 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.1 t 33.42 40.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 38' ' ' THR . 11.6 mt-30 -135.74 144.76 46.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 2.0 p30 -149.53 126.34 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' LEU . 74.1 mt-30 -143.03 122.07 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 15.4 mtmm -104.11 158.14 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.35 169.24 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -48.61 147.55 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 24.0 t -71.65 122.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -63.73 78.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' VAL . 28.2 mt-10 -73.81 121.67 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.7 69.05 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -109.55 -32.33 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.036 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 104.52 -169.33 17.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 0.735 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.794 HG22 ' CB ' ' A' ' 20' ' ' LYS . 3.0 p -127.99 72.72 79.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.467 ' HD2' HD23 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 129.3 12.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.75 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -111.07 139.49 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.77 -42.76 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m120 47.1 32.69 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -171.85 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -149.95 127.47 11.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.764 ' CD2' HD11 ' A' ' 37' ' ' LEU . 80.6 m-85 -130.95 129.16 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.503 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.5 mm -98.36 140.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' HB2' HD23 ' A' ' 12' ' ' LEU . 40.5 m-85 -135.46 124.79 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -67.07 119.53 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 16.5 t -106.7 147.25 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -178.47 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -168.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.891 ' O ' HG23 ' A' ' 71' ' ' THR . . . -58.71 -15.63 27.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 m -38.99 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 69' ' ' GLY . 11.9 p -125.86 27.1 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.7 OUTLIER -168.35 153.66 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.942 HD21 HD22 ' A' ' 37' ' ' LEU . 27.7 tp -114.16 146.59 40.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 113.1 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.01 105.96 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 14.6 mttp -108.51 136.63 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.915 HG13 HG22 ' A' ' 35' ' ' VAL . 5.2 mp -104.11 133.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.923 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 77.4 m-85 -132.69 -171.53 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' VAL . 5.4 t70 -116.17 132.08 56.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.27 -36.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 82' ' ' VAL . 1.6 t0 -92.24 45.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 81' ' ' ASP . 68.9 t -157.68 153.26 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -99.5 135.99 12.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.44 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 15.8 p -38.07 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.392 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 55.1 mt-10 -106.82 56.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 20.8 t0 -136.8 -67.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -174.41 114.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.923 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -85.43 135.68 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.892 ' CG2' HG22 ' A' ' 77' ' ' ILE . 2.0 m -60.47 -38.92 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' HA2' ' CE ' ' A' ' 114' ' ' LYS . . . -163.73 169.25 38.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.86 161.0 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.256 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.38 155.24 39.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 m -112.29 111.65 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.018 HG22 HD11 ' A' ' 126' ' ' LEU . 2.6 mp -105.99 104.06 47.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -74.95 137.48 21.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 4.8 mt -96.81 14.91 23.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.797 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -73.38 -32.56 1.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -27.43 10.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.896 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.48 -25.21 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.693 ' HE2' HG22 ' A' ' 71' ' ' THR . 6.3 m-30 -67.51 -22.69 65.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.8 m -106.77 -45.44 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.9 mm-40 -75.78 -36.3 59.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 86.33 -9.35 70.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.2 p -164.86 126.45 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.896 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.7 mm -130.17 140.95 40.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.66 ' CB ' HG21 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.04 112.36 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.76 144.5 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.752 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -71.16 96.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 94' ' ' ILE . 50.2 m-85 -79.01 138.99 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.33 121.8 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.707 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.3 t -108.71 111.75 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.28 173.48 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 14.7 tppt? -154.03 91.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.606 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.6 t0 90.4 -27.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER 157.33 -21.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.78 151.01 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.782 ' HE2' HD11 ' A' ' 22' ' ' LEU . 63.9 t80 -86.64 106.98 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB2' HG12 ' A' ' 112' ' ' VAL . 4.7 mmpt? -74.7 -43.12 56.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.4 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 170.96 -141.75 6.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.752 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.7 pt-20 -131.98 153.01 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 19' ' ' ALA . 7.7 tt -129.19 124.64 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.498 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 34.9 m95 -86.26 126.44 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 6.2 t -151.81 132.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.526 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -116.91 133.7 55.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.018 HD11 HG22 ' A' ' 94' ' ' ILE . 5.5 mt -107.3 152.95 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -142.39 63.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 65.6 t80 -55.72 138.02 48.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -126.49 96.4 36.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.2 Cg_endo -75.06 143.25 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 63.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . 57.55 157.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 156.59 43.07 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.38 77.74 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -121.6 -59.46 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.9 138.4 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -165.49 138.73 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 -67.6 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.9 p 50.08 86.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t 58.16 159.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.97 171.79 26.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.97 -166.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -173.34 128.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.74 -156.52 27.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 3.4 m -105.74 153.51 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.921 HD11 HG23 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -114.03 144.59 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.777 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.7 tt0 -126.82 107.19 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.974 HG21 HD22 ' A' ' 73' ' ' LEU . 20.5 t -97.33 123.77 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.86 89.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.729 HD11 HG21 ' A' ' 35' ' ' VAL . 30.0 tp -65.96 92.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.642 HG21 ' HB3' ' A' ' 107' ' ' PRO . 25.0 t -67.76 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.588 ' N ' HG12 ' A' ' 17' ' ' VAL . 91.3 p -152.12 -173.23 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 148.06 28.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -135.41 152.72 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.74 -175.53 23.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? -73.03 -165.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -41.03 13.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -128.99 58.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -133.08 112.2 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.11 85.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.784 ' CE1' HD13 ' A' ' 28' ' ' LEU . 23.3 t80 -150.6 126.34 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.784 HD13 ' CE1' ' A' ' 27' ' ' PHE . 1.8 mp 67.58 19.95 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' MET . 3.0 t-20 -59.58 -146.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -61.13 82.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' ASN . 3.4 ptm -162.73 177.96 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 41.7 m-20 -130.22 69.12 81.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -75.0 150.68 38.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 27.6 p90 -126.17 150.71 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 16' ' ' LEU . 60.7 t -90.64 146.61 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 30.9 tt0 -122.81 95.93 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.888 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.85 131.1 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.621 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.3 m -134.06 135.09 43.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' HB3' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -142.43 107.25 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.308 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.54 -84.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.52 13.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.506 ' NE2' ' HB3' ' A' ' 39' ' ' CYS . 2.0 pt20 -108.12 117.2 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 3.1 p-10 -103.47 151.52 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 37' ' ' LEU . 70.5 mt-30 -158.33 123.05 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' CD ' ' CE1' ' A' ' 34' ' ' TYR . 22.2 mtmt -104.73 160.79 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.72 170.51 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -48.58 156.41 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.6 t -81.91 123.11 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -62.68 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' VAL . 22.7 mt-10 -74.42 129.52 37.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.53 72.59 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.513 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 6.7 mmt -116.76 -31.18 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 94.44 -146.38 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -84.63 15.15 3.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.415 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.578 HG22 ' CG ' ' A' ' 20' ' ' LYS . 3.0 p -144.02 78.76 13.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 141.35 26.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 41.8 mp0 -120.91 172.47 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 23.4 m-90 -158.17 -46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 47.44 28.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.79 -178.24 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.5 m -143.59 127.23 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.724 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 87.8 m-85 -126.67 135.02 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.5 mm -105.16 145.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' HB2' HD12 ' A' ' 12' ' ' LEU . 82.3 m-85 -146.57 126.15 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -61.93 139.09 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.609 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 6.9 t -127.58 137.0 58.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -140.59 -60.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.045 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -165.34 151.7 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.1 -58.12 4.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -66.14 108.62 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 p -135.96 19.9 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.7 pt-20 -164.74 145.88 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.974 HD22 HG21 ' A' ' 14' ' ' VAL . 6.4 tp -108.36 141.59 39.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -103.78 118.17 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.47 104.84 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.612 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 37.0 mttp -102.95 124.09 47.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.943 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -84.65 131.22 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.088 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 81.2 m-85 -137.51 150.99 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.819 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -73.14 159.58 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.71 -7.54 34.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -124.02 60.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.3 p -161.83 168.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.549 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -117.67 137.28 13.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLY . 19.7 p -36.31 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' GLY . 51.9 mt-10 -107.76 65.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 60.7 t0 -147.85 -68.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.95 120.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.088 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -95.65 116.98 29.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.943 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -39.38 -30.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.07 172.14 45.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -147.53 164.3 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.853 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.26 155.75 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 26.3 m -108.63 114.5 28.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.759 HG22 HD11 ' A' ' 126' ' ' LEU . 2.9 mt -108.73 100.26 38.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.03 133.82 17.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.658 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 1.3 mt -98.7 13.63 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.815 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -76.31 -31.17 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.03 -27.58 9.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.841 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -84.98 -40.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 128' ' ' PHE . 14.8 m-30 -60.61 -22.95 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.2 t -92.41 -59.2 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.67 -53.5 27.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.8 -16.76 13.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -165.37 117.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.841 ' CG1' HG13 ' A' ' 99' ' ' VAL . 5.0 mm -114.76 140.85 25.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.07 173.76 13.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.645 ' N ' ' HB2' ' A' ' 125' ' ' ALA . 18.1 Cg_endo -75.0 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.56 143.45 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.853 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -74.6 95.51 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CD2' HG12 ' A' ' 94' ' ' ILE . 56.5 m-85 -76.52 133.39 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -47.4 118.71 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 92' ' ' ALA . 22.5 t -106.37 111.9 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.452 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.83 169.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 36.7 tptt -142.22 88.93 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 8.7 t0 86.78 -22.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.43 -20.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.452 ' C ' HG12 ' A' ' 113' ' ' VAL . 4.8 mt-10 -88.71 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 52.4 t80 -74.72 113.03 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HB2' HG12 ' A' ' 112' ' ' VAL . 7.8 mmpt? -84.84 -32.74 23.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 164.07 -131.66 2.5 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.853 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 2.0 pm0 -148.73 152.79 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 92' ' ' ALA . 4.7 tt -121.79 130.72 74.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.616 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 40.9 m95 -92.45 114.89 27.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.2 t -143.47 130.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.645 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -111.47 133.98 53.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.759 HD11 HG22 ' A' ' 94' ' ' ILE . 4.7 mt -106.1 155.6 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.17 79.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 32.9 t80 -55.95 156.32 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -139.99 90.57 10.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.2 Cg_endo -74.96 130.97 13.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t -57.13 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . -74.64 -149.72 1.95 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.11 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.06 171.41 9.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.0 t -178.74 109.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.13 160.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t 65.91 101.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.27 -116.59 0.77 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 176.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m 62.31 169.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.22 -162.75 31.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -165.4 136.34 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.93 -125.51 1.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.505 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 96.8 m -136.05 144.32 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.028 HD11 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -107.74 143.08 36.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.879 ' N ' HD22 ' A' ' 12' ' ' LEU . 2.6 tt0 -125.8 110.24 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.028 HG23 HD11 ' A' ' 12' ' ' LEU . 36.3 t -102.45 118.2 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.737 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 58.9 t -105.87 91.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 11.7 tp -71.89 93.43 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 107' ' ' PRO . 59.9 t -72.35 -81.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -151.11 -157.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -158.01 124.29 4.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.766 ' HG3' HG22 ' A' ' 55' ' ' THR . 1.4 mtpt -95.91 156.92 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.49 -140.43 7.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -163.13 -163.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.43 -26.63 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.509 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t0 -99.87 45.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.992 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . 178.38 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.18 103.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 28' ' ' LEU . 33.0 t80 -150.77 133.54 15.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 61.36 78.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.2 122.78 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 t30 49.83 62.07 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.3 ptm -166.07 175.08 8.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 49.0 m-20 -128.48 69.09 78.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.5 Cg_endo -74.94 165.22 31.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 36.9 p90 -147.85 146.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 77.6 t -91.25 136.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 45' ' ' LYS . 2.2 tt0 -125.2 101.92 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -70.01 139.1 52.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.3 m -133.5 128.29 35.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.9 90.24 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 62.79 -90.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -112.78 -2.27 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -94.71 122.48 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -126.75 133.75 50.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 54.6 mt-30 -155.83 122.69 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -124.45 168.84 12.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.55 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -55.29 179.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 2.8 m -91.86 140.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.847 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -75.67 86.66 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 18.1 mt-10 -65.58 120.73 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.78 76.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.847 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 10.4 mmt -116.22 -32.51 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.37 -144.6 16.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 28' ' ' LEU . 6.7 p -93.08 23.27 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.766 HG22 ' HG3' ' A' ' 20' ' ' LYS . 1.1 p -153.42 69.03 6.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.473 ' CD ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 126.21 9.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.15 146.58 36.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -128.38 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 61.56 41.76 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.79 178.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -142.72 124.03 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 37' ' ' LEU . 82.5 m-85 -124.13 133.08 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.505 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 3.8 mm -104.53 145.53 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.671 ' HB2' HD12 ' A' ' 12' ' ' LEU . 60.2 m-85 -143.29 122.76 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -61.72 126.38 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 17.0 t -110.12 147.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -161.7 -67.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -147.26 144.12 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.83 -52.13 4.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.502 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 4.5 m -57.81 100.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -136.59 15.18 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -173.44 146.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.0 HD22 HG21 ' A' ' 14' ' ' VAL . 10.3 tp -107.11 143.51 35.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -104.91 119.87 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.51 104.19 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mttp -103.04 137.63 40.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.951 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -107.27 140.21 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.001 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 70.4 m-85 -141.07 -166.62 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 3.0 t70 -119.03 138.12 53.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 5.3 ptmt -40.99 -42.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' C ' HG23 ' A' ' 82' ' ' VAL . 14.8 t0 -88.42 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.492 HG23 ' C ' ' A' ' 81' ' ' ASP . 97.6 t -157.09 150.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -101.34 138.22 13.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' GLY . 12.8 p -36.62 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' GLY . 2.2 pt-20 -107.07 60.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 64.6 t0 -142.77 -68.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -165.84 113.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.001 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -91.12 111.74 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.951 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -39.57 -29.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.91 -175.12 45.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' VAL . 12.7 pm0 -160.01 166.41 30.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.718 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.26 148.36 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.4 m -103.8 114.45 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.885 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -108.58 100.44 38.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.58 20.54 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.559 1.82 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.624 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 5.0 mt -99.16 11.91 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.737 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -72.32 -36.19 3.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.58 7.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.603 HG23 HG12 ' A' ' 105' ' ' ILE . 2.0 p -79.09 -29.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 17.8 m-30 -76.94 -20.26 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 t -95.77 -43.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.77 -34.15 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 92.46 -13.0 68.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.476 ' O ' HD13 ' A' ' 105' ' ' ILE . 35.5 p -159.89 137.88 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.603 HG12 HG23 ' A' ' 99' ' ' VAL . 22.2 mm -137.17 131.32 17.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.22 13.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.03 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -110.54 152.96 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.624 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -83.36 100.53 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 57.6 m-85 -82.52 132.74 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -52.62 122.12 8.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.718 HG22 ' HB2' ' A' ' 92' ' ' ALA . 44.8 t -106.04 116.26 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -118.54 170.85 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 21.8 tptt -139.51 89.98 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.71 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 11.2 m-20 80.99 -19.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.554 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.63 -21.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 114' ' ' LYS . 5.3 mt-10 -88.69 138.96 30.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.609 ' CE2' HD13 ' A' ' 22' ' ' LEU . 46.7 t80 -80.0 117.69 21.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.15 -34.48 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.571 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 168.59 -134.9 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' LYS . 12.5 pt-20 -142.67 152.61 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.573 HG13 ' HB2' ' A' ' 19' ' ' ALA . 16.0 tt -123.96 137.05 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.624 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.6 m95 -102.79 124.11 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.45 HG23 ' C ' ' A' ' 123' ' ' TRP . 42.1 t -153.52 134.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.737 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -104.38 146.86 28.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.885 HD11 ' CG2' ' A' ' 94' ' ' ILE . 3.3 mt -124.46 136.34 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.4 m -143.08 98.37 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' A' ' 100' ' ' PHE . 31.3 t80 -74.35 156.81 36.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -140.49 90.36 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.12 28.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 m -86.31 57.63 4.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -150.0 -146.23 4.28 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.13 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -147.13 164.48 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.8 t -146.31 100.53 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.123 . . . . 0.0 110.977 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.0 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -171.79 125.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.34 -147.96 12.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.597 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 35.8 m -101.48 149.08 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.953 HD11 HD22 ' A' ' 96' ' ' LEU . 2.0 tp -123.94 148.37 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' CD1' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.33 147.72 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.703 HG11 ' HG ' ' A' ' 37' ' ' LEU . 47.3 t -141.9 100.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.837 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 38.5 t -94.69 105.59 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.802 HD11 HG21 ' A' ' 35' ' ' VAL . 24.2 tp -84.84 91.39 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' CB ' ' A' ' 107' ' ' PRO . 56.7 t -67.93 -87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 28.1 p -153.91 -174.33 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -147.39 124.17 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.2 mttt -109.41 151.3 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.09 179.37 22.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.553 HD11 ' HE2' ' A' ' 118' ' ' TYR . 3.0 mm? -70.32 -169.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -39.71 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -117.78 61.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.01 120.98 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -82.88 51.99 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 14.6 t80 -96.67 120.87 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 4.7 mt 63.62 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -127.68 124.74 38.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 55.87 58.55 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 8.9 ptm -165.86 -177.04 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.715 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.9 m-20 -130.76 67.96 81.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -74.98 150.36 38.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 45.3 p90 -135.57 150.8 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.802 HG21 HD11 ' A' ' 16' ' ' LEU . 88.2 t -92.88 148.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -135.05 109.1 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -80.32 165.72 22.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 37' ' ' LEU . 1.3 m -155.58 119.98 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -142.39 98.58 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 60.97 88.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ARG . 27.3 p 34.04 33.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.83 112.18 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.82 166.71 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 69.5 mt-30 -157.76 121.88 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 158.66 20.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.16 175.75 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.064 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -48.51 158.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.715 HG13 ' HB3' ' A' ' 32' ' ' ASP . 4.4 t -90.42 113.14 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -61.35 84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HG3' HG12 ' A' ' 48' ' ' VAL . 23.1 mt-10 -74.87 117.51 16.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 34.92 68.31 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.2 -30.8 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.021 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 109.33 -157.43 15.12 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.107 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 p -79.42 4.33 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 0.731 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 20' ' ' LYS . 11.6 p -136.06 67.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.99 122.37 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 6.4 mt-10 -96.38 179.63 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 21.2 m-90 -157.13 -45.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 52.5 35.81 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -93.13 -178.33 4.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -153.36 127.39 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.8 m-85 -122.69 124.73 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.597 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 23.3 mm -99.53 132.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 67.8 m-85 -125.15 162.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -108.68 105.69 15.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 21.4 t -81.58 147.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.42 ' HB2' ' NH2' ' A' ' 40' ' ' ARG . 1.1 m -165.94 67.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.49 161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.84 -55.66 4.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 119.99 23.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.8 p -135.6 13.01 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.3 pt-20 -160.88 149.57 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 37' ' ' LEU . 5.5 tp -106.99 142.58 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -107.53 129.12 55.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.19 113.23 16.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 19.6 mttp -114.52 139.04 49.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.817 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -110.97 145.41 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.031 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 30.3 m-85 -145.83 -147.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 82' ' ' VAL . 3.8 t0 -136.23 128.0 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HD2' HG11 ' A' ' 48' ' ' VAL . 3.0 ptmt -40.09 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -72.19 -54.0 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -70.08 -162.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.712 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -141.97 151.4 22.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.435 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 66.6 p -39.8 -37.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.44 77.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.67 -68.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.48 113.19 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.031 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -95.6 114.32 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.817 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -43.51 -27.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.66 -176.37 47.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -155.32 171.22 20.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.671 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -152.55 151.91 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -110.94 112.45 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.11 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -108.37 101.23 41.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.0 142.62 28.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 12' ' ' LEU . 10.6 mt -100.7 9.47 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -67.85 -38.22 13.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.95 -30.16 7.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.622 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -80.37 -29.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.726 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 6.1 m-85 -76.94 -19.36 57.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.0 t -96.82 -43.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.7 -41.93 17.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 97.56 -9.18 64.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -165.11 124.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.622 HG12 HG23 ' A' ' 99' ' ' VAL . 48.7 mm -121.66 134.77 24.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.06 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.43 ' CB ' HG21 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.46 148.01 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.45 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.813 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -77.97 103.04 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.44 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.9 m-85 -84.71 132.65 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.92 123.99 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 92' ' ' ALA . 40.7 t -107.13 112.19 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.8 168.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.1 90.86 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.6 t0 83.48 -22.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.33 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.1 mt-10 -84.55 137.25 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 120' ' ' GLY . 35.2 t80 -78.22 108.34 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.576 ' HB2' HG12 ' A' ' 112' ' ' VAL . 10.2 mmpt? -77.31 -44.04 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.582 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 171.12 -123.96 1.08 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.602 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 6.0 pt-20 -149.95 146.72 27.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.58 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.3 tt -118.79 121.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.813 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.5 m95 -83.86 122.36 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 12.8 t -151.46 148.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.837 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -117.96 149.9 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.11 HD11 ' CG2' ' A' ' 94' ' ' ILE . 4.7 mt -128.71 147.36 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 13' ' ' GLU . 59.4 m -151.79 113.99 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 8' ' ' PRO . 19.5 t80 -90.46 145.11 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -135.83 90.78 18.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.4 19.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -74.98 142.56 28.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.697 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.6 p-80 -167.42 118.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 170.57 -131.02 2.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.557 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 61.8 m -111.84 137.18 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 96' ' ' LEU . 1.2 tp -117.62 137.73 52.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -108.2 137.2 46.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 37' ' ' LEU . 53.0 t -131.28 108.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 18.9 t -102.84 99.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 35' ' ' VAL . 21.7 tp -79.05 84.51 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 18' ' ' SER . 78.6 t -60.38 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 14.7 p -146.26 -177.78 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.744 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -157.74 118.17 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.798 ' CB ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -109.61 148.93 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.6 -147.14 19.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.786 HD11 ' CD2' ' A' ' 118' ' ' TYR . 65.1 mt -121.87 -171.27 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -105.03 -17.59 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -120.19 48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.85 111.12 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.02 88.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.658 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 11.6 t80 -142.03 111.88 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.918 ' O ' HG22 ' A' ' 54' ' ' THR . 5.4 mt 75.83 71.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -138.8 120.35 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 46.25 67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.8 ptm -163.84 175.67 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 64.7 m-20 -129.78 69.29 81.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.3 Cg_endo -74.94 156.35 43.24 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 19.1 p90 -132.05 148.94 52.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 16' ' ' LEU . 78.2 t -90.51 140.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 45' ' ' LYS . 19.0 tt0 -118.15 94.78 4.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.957 HD22 HD21 ' A' ' 73' ' ' LEU . 48.9 mt -68.9 142.11 54.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.814 ' O ' HD12 ' A' ' 73' ' ' LEU . 2.2 m -142.55 128.95 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -135.82 93.88 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.46 -84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.4 p -125.47 2.2 7.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -98.49 121.77 40.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.79 135.65 55.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -150.5 125.37 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -104.39 166.68 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -110.82 165.78 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -47.95 159.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' GLU . 6.4 t -81.07 119.41 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -62.04 78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' VAL . 21.1 mt-10 -69.08 121.73 17.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.13 79.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.532 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 13.8 mmt -116.1 -32.0 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.03 -132.37 10.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -106.29 12.15 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 110.445 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.798 HG22 ' CB ' ' A' ' 20' ' ' LYS . 1.8 p -150.65 76.73 8.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.614 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -75.04 136.6 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 55.3 mp0 -112.14 132.56 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.455 ' C ' ' N ' ' A' ' 60' ' ' GLU . 25.1 m-90 -111.89 -37.05 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 108.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' TRP . 0.8 OUTLIER 39.31 30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' TRP . 20.6 mm-40 -84.72 -177.12 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -145.65 120.98 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 40.9 m-85 -124.67 127.17 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.9 mm -98.4 141.21 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 28.5 m-85 -134.97 128.28 32.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -70.13 124.33 23.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -113.52 133.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.516 ' HA ' ' CB ' ' A' ' 9' ' ' HIS . 2.3 t -144.33 -67.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' GLU . 5.0 pt-20 -144.22 118.45 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.15 -30.5 7.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.452 HG23 ' SG ' ' A' ' 39' ' ' CYS . 1.7 m -69.27 92.24 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.7 p -128.58 2.77 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -174.69 143.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.957 HD21 HD22 ' A' ' 37' ' ' LEU . 14.8 tp -103.33 146.25 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -112.34 113.79 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -109.88 117.45 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 17.0 mttt -116.07 140.64 49.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.788 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -106.79 125.03 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.199 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 96.3 m-85 -132.06 163.21 28.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.824 ' O ' HG12 ' A' ' 82' ' ' VAL . 5.2 t0 -83.67 156.22 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -62.28 -12.0 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -120.46 68.82 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.6 p -173.98 168.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -118.28 134.79 11.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' GLY . 66.9 p -35.25 -36.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLY . 31.0 mt-10 -97.52 57.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.495 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 15.6 t0 -142.2 -65.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 175.56 119.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.199 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -96.92 131.27 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.788 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -44.18 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.89 179.05 47.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.0 171.62 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 0.761 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.651 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -152.85 139.21 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 15.6 m -95.22 112.37 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.122 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.7 mt -106.74 101.64 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.99 145.44 31.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 12' ' ' LEU . 8.2 mt -101.17 0.52 37.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.8 tt0 -58.34 -42.13 93.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.23 7.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -86.92 -0.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 8.4 m-30 -99.29 -31.91 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.6 m -95.31 -31.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.11 -33.28 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.47 71.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -172.4 134.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 106' ' ' PRO . 5.2 mm -131.08 140.41 38.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -75.0 104.02 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 m -114.61 148.0 38.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.79 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -79.67 101.34 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 89.1 m-85 -79.2 136.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.98 128.43 21.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 92' ' ' ALA . 41.5 t -111.6 113.36 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.32 172.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 30.5 tptt -150.13 90.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 13.2 t0 89.16 -27.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.5 OUTLIER 158.63 -21.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 113' ' ' VAL . 2.1 mm-40 -86.42 151.12 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.786 ' CD2' HD11 ' A' ' 22' ' ' LEU . 57.1 t80 -86.05 113.66 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HB2' HG12 ' A' ' 112' ' ' VAL . 1.1 mmpt? -81.92 -54.64 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.41 -136.44 2.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.758 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.9 pt-20 -138.84 152.66 48.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.744 HG13 ' HB2' ' A' ' 19' ' ' ALA . 6.8 tt -125.73 121.53 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.79 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 45.9 m95 -87.44 121.67 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 123' ' ' TRP . 22.2 t -152.9 145.95 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.652 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -111.92 149.87 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.122 HD11 ' CG2' ' A' ' 94' ' ' ILE . 20.0 mt -125.82 142.37 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.95 93.57 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.49 ' HB2' HG13 ' A' ' 99' ' ' VAL . 11.9 t80 -76.58 158.84 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.6 mttm -149.11 89.75 4.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.88 28.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 179.07 140.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.78 -116.29 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.49 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 36.8 m -140.04 150.85 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 126' ' ' LEU . 14.2 tp -117.52 149.35 40.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tt0 -124.3 96.47 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.535 HG11 ' HG ' ' A' ' 37' ' ' LEU . 64.1 t -86.37 120.94 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.683 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 62.0 t -116.44 93.85 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.81 87.23 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 18' ' ' SER . 55.5 t -60.17 -87.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.466 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -146.47 -167.19 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -160.09 116.95 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.622 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -103.46 149.88 24.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.56 -141.74 8.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.799 HD21 ' HE2' ' A' ' 118' ' ' TYR . 76.9 mt -119.18 165.12 14.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.96 -19.49 37.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -126.44 46.02 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -163.57 129.94 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.0 90.63 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE1' ' HG ' ' A' ' 28' ' ' LEU . 7.6 t80 -131.55 126.25 34.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.583 HD21 HG21 ' A' ' 77' ' ' ILE . 15.1 mt 69.12 32.07 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' MET . 6.7 t30 -60.41 -148.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.415 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 91.3 m-20 -65.88 73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -146.72 179.66 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 11.8 m-20 -119.7 77.79 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.543 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 166.22 29.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.4 p90 -162.35 130.97 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.903 HG22 HG13 ' A' ' 77' ' ' ILE . 76.1 t -92.9 154.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.896 ' CD ' HG21 ' A' ' 84' ' ' THR . 16.2 tt0 -124.08 95.41 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.14 121.27 14.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.865 ' O ' HD12 ' A' ' 73' ' ' LEU . 88.1 m -124.19 138.67 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.26 98.11 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 108.317 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 -88.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.0 p -120.03 1.62 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -97.72 114.92 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.61 119.13 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -134.77 123.68 23.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 23.7 mtmt -104.42 166.52 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -112.1 159.23 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -48.62 149.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 13.7 t -74.71 116.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -64.61 86.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' GLY . 28.7 mt-10 -77.43 131.17 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.69 73.96 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.553 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.51 -32.38 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.43 -150.98 18.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 55' ' ' THR . 1.4 p -89.85 26.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.763 HG23 ' O ' ' A' ' 54' ' ' THR . 1.2 p -161.66 70.17 2.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.04 141.49 26.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -119.76 139.93 51.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -119.52 -43.11 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 44.81 34.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.7 172.03 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -134.74 125.41 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CD2' HD23 ' A' ' 37' ' ' LEU . 52.0 m-85 -126.12 126.48 44.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.4 mm -97.83 143.64 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 26.5 m-85 -137.22 139.34 40.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -74.54 110.61 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 12' ' ' LEU . 38.9 t -96.36 148.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 -72.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -140.83 140.07 34.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.76 -46.63 2.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -63.75 84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 p -111.51 -16.14 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.16 163.13 40.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.865 HD12 ' O ' ' A' ' 38' ' ' THR . 16.0 tp -117.32 145.62 43.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -109.52 122.59 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.91 102.53 8.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 38.5 mttp -103.63 138.52 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.908 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.9 mp -101.81 119.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.215 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 90.6 m-85 -125.78 168.5 13.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.779 ' HB3' HG13 ' A' ' 82' ' ' VAL . 59.9 t0 -93.75 135.46 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 13.0 ptmt -49.9 -20.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' N ' ' C ' ' A' ' 79' ' ' ASP . 16.5 t0 -81.07 -34.09 32.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.779 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.3 m -94.69 -168.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.541 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -138.42 145.28 16.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.896 HG21 ' CD ' ' A' ' 36' ' ' GLN . 59.6 p -35.47 -34.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' GLY . 18.2 mt-10 -99.88 70.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.33 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.78 121.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.215 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -102.58 124.02 47.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.908 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -43.35 -27.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -175.28 -179.16 45.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.85 172.22 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.693 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -156.21 138.53 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 16.5 m -99.25 113.98 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.647 ' CG2' HD21 ' A' ' 126' ' ' LEU . 3.6 mt -106.69 102.5 42.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.0 137.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 99' ' ' VAL . 17.6 mt -97.62 10.51 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.707 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tt0 -67.89 -38.57 14.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.05 -25.28 11.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -84.89 -7.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 15.4 m-30 -96.89 -31.12 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.8 m -93.31 -31.54 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.1 mm-40 -90.05 -32.3 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -11.36 58.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 105' ' ' ILE . 87.6 p -166.32 129.65 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.576 HG12 HG23 ' A' ' 99' ' ' VAL . 47.1 mm -121.34 134.79 24.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.0 168.26 25.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.508 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.2 Cg_endo -74.99 102.12 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 152.45 34.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.766 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -80.19 107.94 13.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 73.3 m-85 -85.24 143.44 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.12 131.88 52.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 92' ' ' ALA . 44.7 t -112.85 114.72 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.827 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.85 170.56 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 31.3 tptt -142.29 89.38 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 1.2 t70 83.63 -21.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 160.23 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.827 ' O ' HG12 ' A' ' 113' ' ' VAL . 12.0 pt-20 -81.14 165.73 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.799 ' HE2' HD21 ' A' ' 22' ' ' LEU . 52.2 t80 -102.01 117.95 35.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.448 ' CE ' ' HG3' ' A' ' 117' ' ' GLU . 6.6 mmpt? -88.41 -55.81 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -167.88 -137.46 2.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.406 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.6 pt-20 -140.93 143.83 34.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.585 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.4 tt -118.49 123.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.766 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 29.7 m95 -83.8 119.16 24.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.565 HG12 HD11 ' A' ' 126' ' ' LEU . 10.5 t -136.73 156.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.983 ' C ' HD13 ' A' ' 126' ' ' LEU . . . -143.12 123.72 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.983 HD13 ' C ' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -115.76 137.11 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 3.4 m -135.79 94.58 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.541 ' H ' HG22 ' A' ' 99' ' ' VAL . 32.2 t80 -64.56 156.8 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -143.55 90.5 7.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 178.92 119.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.3 -142.3 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 53.1 m -111.21 144.36 40.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.997 HD11 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -109.38 146.91 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.89 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -128.84 112.8 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.997 HG23 HD11 ' A' ' 12' ' ' LEU . 41.7 t -105.16 112.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.741 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 99.3 t -97.17 89.51 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.908 HD13 ' CB ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -65.76 104.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 18' ' ' SER . 40.0 t -85.41 -86.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.507 ' N ' HG12 ' A' ' 17' ' ' VAL . 48.6 p -156.37 -173.54 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -149.54 128.28 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.618 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.26 153.53 27.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.76 -179.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.717 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.6 mm? -77.71 164.58 25.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.61 -50.09 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -114.87 64.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -130.63 116.03 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.56 55.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 16.2 t80 -114.12 121.44 43.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD22 ' HG2' ' A' ' 33' ' ' PRO . 27.8 mt 72.58 24.83 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' MET . 2.3 t-20 -60.92 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.14 73.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.7 ptm -148.49 -173.2 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 12.2 m-20 -133.51 65.87 72.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HG2' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -74.94 160.45 40.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 35.4 p90 -141.46 147.8 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 ' CH2' ' A' ' 58' ' ' TRP . 97.5 t -92.39 148.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -137.97 95.7 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.914 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.69 126.3 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.773 HG23 ' HB3' ' A' ' 43' ' ' ASP . 8.7 m -119.97 139.21 52.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' HG21 ' A' ' 70' ' ' THR . 40.4 t -136.8 89.52 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.21 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.0 p -114.41 -26.4 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.442 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.461 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 11.6 pt20 -91.51 124.74 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.773 ' HB3' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -134.02 173.58 11.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 67.9 mt-30 -157.16 140.37 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -104.91 158.41 16.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.95 172.32 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -53.21 165.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.0 t -93.04 120.12 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -64.67 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLY . 24.1 mt-10 -75.56 120.33 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.3 73.76 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 5.6 mmt -115.45 -31.99 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 108.91 -162.06 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 p -80.03 3.48 20.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.618 HG22 ' CG ' ' A' ' 20' ' ' LYS . 10.7 p -134.95 64.02 60.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 55' ' ' THR . 18.3 Cg_endo -74.97 126.52 10.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 1.5 mt-10 -109.22 123.37 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.908 ' CB ' HD13 ' A' ' 16' ' ' LEU . 27.5 m-90 -93.44 -44.29 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 107.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 54.17 39.7 30.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . 7.9 mm-40 -94.84 171.73 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 119.65 16.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.914 ' CD1' HD23 ' A' ' 37' ' ' LEU . 55.8 m-85 -118.52 146.99 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.504 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.2 mm -118.36 142.86 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' HB2' HD12 ' A' ' 12' ' ' LEU . 40.5 m-85 -143.28 135.24 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -80.91 125.32 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.841 HG13 ' HB ' ' A' ' 70' ' ' THR . 45.7 t -111.86 143.74 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.6 t 156.99 44.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.93 43.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 71' ' ' THR . . . 88.51 -28.83 6.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.841 ' HB ' HG13 ' A' ' 66' ' ' VAL . 51.5 m -37.85 110.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.404 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 69' ' ' GLY . 4.2 p -140.42 32.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -177.83 153.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.981 HD22 HG21 ' A' ' 14' ' ' VAL . 4.3 tp -118.76 141.84 48.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.88 119.32 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.45 111.04 20.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 10.7 mttp -111.66 136.9 50.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.832 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -109.7 141.87 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.12 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 31.4 m-85 -141.9 -163.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 82' ' ' VAL . 18.4 t0 -116.62 135.67 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -44.63 -28.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.415 ' O ' HG23 ' A' ' 82' ' ' VAL . 67.8 m-20 -100.71 43.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 53.1 t -153.49 150.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -93.53 135.48 12.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.5 p -38.13 -32.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 83' ' ' GLY . 33.9 mt-10 -106.98 55.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.489 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.4 t70 -135.45 -68.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.83 114.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.12 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -92.86 117.55 30.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.832 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -41.18 -29.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.32 176.07 45.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -146.97 170.61 16.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.801 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -155.15 140.54 17.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 m -96.76 115.65 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.963 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -108.32 100.21 36.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.99 135.21 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.603 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.1 mt -96.79 6.15 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.682 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.0 tt0 -63.15 -39.76 54.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.02 -25.94 11.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.564 HG22 ' H ' ' A' ' 128' ' ' PHE . 1.2 p -88.56 -3.56 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 12.5 m-30 -97.94 -31.76 12.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.6 m -93.6 -34.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.67 -44.4 14.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.74 -13.04 61.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 105' ' ' ILE . 41.5 p -167.44 129.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 106' ' ' PRO . 44.3 mm -120.4 138.64 27.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.96 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -121.59 146.09 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.932 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -78.81 105.44 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 69.0 m-85 -81.66 131.78 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -44.63 123.63 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.801 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.2 t -110.88 111.39 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.459 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.22 169.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 46.5 tptt -143.55 88.99 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.1 t70 87.21 -22.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.565 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.76 -21.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.459 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.9 mt-10 -87.34 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.717 ' HE2' HD11 ' A' ' 22' ' ' LEU . 66.6 t80 -76.95 113.87 15.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.462 ' HB2' HG12 ' A' ' 112' ' ' VAL . 4.0 mmpt? -86.84 -29.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 159.73 -136.38 4.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.752 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 7.6 pt-20 -143.29 149.15 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.623 HG13 ' HB2' ' A' ' 19' ' ' ALA . 9.5 tt -116.82 121.31 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.932 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 36.2 m95 -83.46 123.72 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.476 HG23 ' C ' ' A' ' 123' ' ' TRP . 46.9 t -154.8 133.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.741 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -102.51 138.53 39.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.963 HD11 ' CG2' ' A' ' 94' ' ' ILE . 11.9 mt -113.99 136.36 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.98 96.47 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.564 ' H ' HG22 ' A' ' 99' ' ' VAL . 38.4 t80 -77.16 155.12 32.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -138.72 91.78 11.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.59 32.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.02 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.16 124.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.604 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.44 -140.57 6.27 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 48.7 m -121.6 144.69 48.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.9 HD11 HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -112.1 144.84 40.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.773 ' H ' HD22 ' A' ' 12' ' ' LEU . 3.1 tt0 -125.14 102.74 7.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.01 HG22 HD12 ' A' ' 126' ' ' LEU . 7.6 t -91.74 125.62 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.677 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 58.7 t -115.39 86.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 14.1 tp -70.47 89.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 18' ' ' SER . 55.6 t -63.15 -88.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.481 ' N ' HG12 ' A' ' 17' ' ' VAL . 3.0 p -149.72 -170.78 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.17 135.73 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.8 OUTLIER -122.48 150.28 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 -175.41 28.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.0 mm? -79.46 -151.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -100.67 -40.32 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -113.26 60.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.85 131.37 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 29' ' ' ASN . 2.1 t0 -91.85 35.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' A' ' 28' ' ' LEU . 20.2 t80 -85.73 126.55 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 66.45 25.63 10.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 26' ' ' ASP . 1.6 t-20 -60.82 -147.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.52 76.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.0 ptm -148.52 -172.93 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 1.3 m-20 -132.56 66.16 76.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -74.99 163.86 34.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.555 1.818 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 32.4 p90 -147.6 141.47 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.565 HG23 ' CZ2' ' A' ' 58' ' ' TRP . 46.0 t -91.83 145.23 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -129.06 96.08 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -68.49 156.06 38.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 73' ' ' LEU . 12.5 m -149.23 134.76 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 29.4 t -134.02 107.64 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.4 mmm180 67.95 -84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 p -138.86 17.47 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.578 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -114.04 114.76 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -108.72 148.74 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -152.02 122.43 7.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 3.3 mtmt -87.19 159.22 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -111.16 167.44 10.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -48.26 155.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 12.1 t -88.3 124.57 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -68.87 82.11 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HG3' HG12 ' A' ' 48' ' ' VAL . 55.1 mt-10 -76.03 114.35 14.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.56 73.12 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmt -115.55 -23.44 8.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.72 -151.14 19.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 55' ' ' THR . 1.1 p -88.3 27.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 54' ' ' THR . 1.4 p -155.37 70.08 5.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.96 123.52 7.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -112.67 137.62 50.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CZ2' HG23 ' A' ' 35' ' ' VAL . 22.8 m-90 -112.37 -49.62 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 108.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 54.47 40.58 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -96.0 -175.13 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 16.0 m -145.47 117.19 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.762 ' CD2' HD23 ' A' ' 37' ' ' LEU . 62.4 m-85 -118.24 124.57 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.2 mm -94.78 150.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 18.3 m-85 -147.83 145.54 28.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.44 115.58 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 15.6 t -97.8 148.85 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -177.15 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -156.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.51 25.67 8.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 70' ' ' THR . 0.9 OUTLIER -87.31 101.44 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 110.375 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.7 p -121.23 40.27 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 6.5 pt-20 -177.89 136.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.956 HD22 HG21 ' A' ' 14' ' ' VAL . 5.0 tp -96.62 141.43 29.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -104.25 125.63 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.06 99.2 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 4.1 mttp -100.3 123.23 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.778 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -89.36 144.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.061 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.6 m-85 -142.76 -170.61 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.5 ' OD1' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.97 133.05 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' HD3' HG11 ' A' ' 48' ' ' VAL . 1.1 ttpt -43.7 -35.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 82' ' ' VAL . 36.7 m-20 -91.12 41.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 84.0 t -157.33 153.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -98.88 134.26 11.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.458 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 25.2 p -36.46 -36.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.22 54.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 65.1 t0 -137.68 -66.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -167.86 119.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.061 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -94.76 116.12 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.778 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -40.86 -30.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.1 -179.83 48.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.45 171.32 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.743 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -156.55 144.28 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 18.0 m -104.43 112.3 25.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.645 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.2 mt -106.93 102.06 40.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.4 Cg_endo -74.97 136.02 19.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.0 mt -96.04 4.07 52.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.5 tt0 -60.46 -40.76 79.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -83.43 -8.72 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 13.5 m-30 -94.44 -33.89 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.4 m -90.25 -32.62 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.2 mm-40 -87.83 -37.68 16.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -12.19 68.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.549 ' O ' HD13 ' A' ' 105' ' ' ILE . 18.8 p -164.8 129.27 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.687 HG12 HG23 ' A' ' 99' ' ' VAL . 43.5 mm -122.5 137.73 28.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.97 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.542 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.98 102.76 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.27 155.4 28.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -85.56 114.95 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 72.8 m-85 -93.67 137.01 33.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.93 131.4 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.743 HG22 ' HB2' ' A' ' 92' ' ' ALA . 50.3 t -118.44 113.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.68 169.88 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 43.3 tptt -143.16 88.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 87.38 -22.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.22 -21.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.23 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.75 ' HE2' HD11 ' A' ' 22' ' ' LEU . 64.0 t80 -77.56 113.07 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -81.71 -37.36 27.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 169.23 -141.45 6.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.8 pt-20 -137.15 142.1 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.527 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.8 tt -113.5 120.71 64.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.3 m95 -80.65 113.34 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.606 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 47.6 t -129.06 160.62 39.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.677 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -148.88 116.08 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.01 HD12 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -105.35 141.7 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER -137.8 86.6 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.692 ' H ' HG22 ' A' ' 99' ' ' VAL . 30.5 t80 -60.7 163.1 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -147.5 90.44 5.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.01 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.19 144.9 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.67 -140.44 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 94.2 m -107.42 150.75 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.848 HD11 HD22 ' A' ' 96' ' ' LEU . 1.1 tp -125.68 143.69 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.3 tt0 -110.77 146.21 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.908 HG11 ' HG ' ' A' ' 37' ' ' LEU . 52.9 t -136.19 106.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.651 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 30.6 t -102.55 103.6 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.741 HD11 HG21 ' A' ' 35' ' ' VAL . 13.5 tp -85.55 91.83 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG12 ' OG ' ' A' ' 18' ' ' SER . 72.7 t -68.65 -89.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.519 ' OG ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -151.11 -171.98 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.014 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.25 140.13 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CG ' HG22 ' A' ' 55' ' ' THR . 3.3 mttt -123.63 147.09 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.59 -177.34 29.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.73 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.8 mm? -74.55 -168.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.18 -40.57 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.53 61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.88 127.14 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.91 38.05 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 13.4 t80 -83.39 114.92 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 17.0 mt 76.06 31.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -60.01 -146.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -63.37 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.6 ptm -153.49 -179.14 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 m-20 -126.53 73.52 74.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 177.4 8.64 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CD2' ' HD2' ' A' ' 45' ' ' LYS . 41.6 p90 -161.61 144.28 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.741 HG21 HD11 ' A' ' 16' ' ' LEU . 34.0 t -91.72 140.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 45' ' ' LYS . 3.3 tt0 -125.25 100.03 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.908 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -64.4 143.16 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.472 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -139.65 120.78 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -130.62 91.34 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.287 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? 63.12 -84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.1 p -119.79 -5.11 10.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -92.72 115.21 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.15 120.59 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 69.3 mt-30 -132.33 122.39 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HD2' ' CD2' ' A' ' 34' ' ' TYR . 1.5 ttpm? -122.37 156.13 34.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -110.1 165.23 11.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' SER . 2.9 m120 -49.3 177.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 6.5 m -91.01 148.86 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -80.72 87.68 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.1 mt-10 -70.42 132.49 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.23 67.3 0.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.471 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -116.03 -32.46 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.98 -153.28 20.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 p -82.52 10.31 7.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.499 HG22 ' CG ' ' A' ' 20' ' ' LYS . 3.2 p -138.7 73.54 40.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.177 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.478 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 153.12 41.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.79 150.74 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.55 ' CH2' HG23 ' A' ' 35' ' ' VAL . 16.5 m-90 -130.69 -51.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LEU . 20.5 m-20 61.92 34.72 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -177.61 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m -144.75 124.41 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' CD2' HD23 ' A' ' 37' ' ' LEU . 42.5 m-85 -126.48 121.8 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 8.1 mm -89.93 141.57 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' HB2' HD23 ' A' ' 12' ' ' LEU . 44.3 m-85 -132.21 124.91 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -68.53 120.34 14.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 55.2 t -97.35 148.02 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -176.92 74.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 56.67 161.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.94 -55.13 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 11.7 m -66.11 116.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.1 p -141.85 13.3 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -173.74 152.63 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 38' ' ' THR . 12.5 tp -112.97 145.52 40.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -109.66 127.57 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.87 123.26 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 10.9 mttp -121.31 140.49 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.725 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -114.97 144.34 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.96 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 14.6 m-85 -144.18 -159.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.768 ' HB3' HG13 ' A' ' 82' ' ' VAL . 34.2 t0 -120.22 140.67 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -53.57 -28.24 30.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -73.06 -22.14 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.768 HG13 ' HB3' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -110.47 -176.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -129.69 154.91 20.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 21.8 p -37.16 -32.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' GLY . 3.7 pt-20 -107.65 78.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.79 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.88 112.44 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.96 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -89.49 116.08 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.725 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.7 OUTLIER -48.52 -29.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.56 176.29 44.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.01 168.26 23.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.833 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -146.66 151.0 36.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 m -107.15 113.12 26.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.092 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.5 mt -108.15 101.48 41.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -74.98 139.4 24.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.848 HD22 HD11 ' A' ' 12' ' ' LEU . 9.2 mt -98.19 7.38 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.8 tt0 -63.99 -41.59 63.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.1 Cg_endo -75.04 -28.45 9.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.658 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -84.6 -3.57 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 1.9 m-85 -100.08 -23.84 14.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.7 m -103.36 -32.09 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.74 -36.28 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.59 76.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -174.26 123.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 99' ' ' VAL . 35.2 mm -111.52 139.87 22.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.06 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 101.58 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -116.29 150.1 38.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.852 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -83.2 105.13 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.541 ' CD2' HG12 ' A' ' 94' ' ' ILE . 79.1 m-85 -82.0 137.34 35.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -51.39 127.96 21.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.833 HG22 ' HB2' ' A' ' 92' ' ' ALA . 39.6 t -112.91 110.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.561 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -108.3 172.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 12.4 tptt -146.84 90.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.1 t0 87.18 -25.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER 158.53 -22.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.561 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.3 mm-40 -86.88 153.14 21.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.73 ' HE2' HD11 ' A' ' 22' ' ' LEU . 46.8 t80 -86.49 127.24 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.77 -31.88 10.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 161.13 -142.87 8.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.852 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.5 pt-20 -135.26 149.41 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.453 ' HB ' HG21 ' A' ' 112' ' ' VAL . 3.3 tt -119.15 121.8 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.777 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 44.7 m95 -83.8 121.44 27.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 123' ' ' TRP . 23.7 t -153.11 141.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.651 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -114.72 142.87 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.092 HD11 ' CG2' ' A' ' 94' ' ' ILE . 2.7 mt -119.77 151.61 38.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -150.08 112.34 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 25.8 t80 -91.93 144.15 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -133.86 90.33 27.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 133.02 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -75.0 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -168.16 135.79 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.08 -127.62 1.88 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.609 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 63.9 m -125.82 152.27 45.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.057 HD22 ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -119.49 130.8 55.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 1.057 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -110.39 123.19 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.769 ' CG2' HD11 ' A' ' 12' ' ' LEU . 67.3 t -118.61 108.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 43.7 t -98.69 95.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 35' ' ' VAL . 17.3 tp -71.48 85.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 107' ' ' PRO . 79.6 t -62.62 -84.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.417 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 80.0 p -153.33 -171.19 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -153.68 147.1 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -125.41 144.25 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.08 174.06 19.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? -68.31 -171.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.71 -9.32 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.43 53.32 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.42 -156.88 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -145.72 79.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.814 ' CE1' HD13 ' A' ' 28' ' ' LEU . 33.4 t80 -148.06 124.24 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.814 HD13 ' CE1' ' A' ' 27' ' ' PHE . 3.5 mp 66.62 36.03 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.31 121.53 45.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 41.75 77.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 9.9 ptm -171.74 -179.83 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.561 ' HB3' HG13 ' A' ' 48' ' ' VAL . 32.7 m-20 -129.79 68.22 80.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.08 160.37 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 50.5 p90 -142.7 146.53 34.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 16' ' ' LEU . 85.0 t -91.24 148.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 8.6 tt0 -134.64 97.55 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.942 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.62 139.73 57.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -133.98 141.19 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.7 OUTLIER -141.67 95.39 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.3 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.38 8.62 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.576 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 3.4 pt20 -109.73 114.11 27.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -110.05 155.55 21.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -150.42 120.8 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 4.6 mtmp? -90.71 155.74 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.57 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -59.08 157.36 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 32' ' ' ASP . 8.2 t -86.1 126.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -75.59 89.38 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' HG3' HG12 ' A' ' 48' ' ' VAL . 45.0 mt-10 -82.38 130.98 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.12 70.61 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.458 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.46 -32.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.985 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.81 -146.61 18.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -88.42 21.05 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 20' ' ' LYS . 1.8 p -148.8 70.26 10.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.5 Cg_endo -75.0 144.0 29.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mp0 -119.29 172.36 7.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 24.8 m-90 -158.0 -46.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 26.04 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -176.35 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -150.81 119.05 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.942 ' CD1' HD23 ' A' ' 37' ' ' LEU . 93.1 m-85 -114.72 147.59 39.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.609 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.9 mm -123.47 140.31 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 60.6 m-85 -139.55 144.9 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -79.01 131.48 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.81 140.18 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -141.69 -70.56 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.59 145.6 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.7 -41.86 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 44.8 m -69.2 94.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -128.25 33.05 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.4 pt-20 -176.13 150.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 74' ' ' LYS . 2.3 tm? -107.51 151.74 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 1.023 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.52 127.03 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.76 103.58 6.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.2 mttp -104.02 131.45 51.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.916 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -97.11 138.18 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.167 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.4 m-85 -139.36 -169.15 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 82' ' ' VAL . 14.2 t70 -121.43 130.06 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -42.38 -33.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 82' ' ' VAL . 1.2 t0 -94.36 44.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 81' ' ' ASP . 79.2 t -157.54 154.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -97.44 136.14 12.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -38.45 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 83' ' ' GLY . 4.7 pt-20 -108.36 59.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 30.1 t0 -138.63 -70.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -168.05 111.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.167 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -86.94 116.52 25.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.916 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -39.81 -30.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 178.79 -177.84 48.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.71 174.33 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.734 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -158.54 140.58 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 m -107.11 111.14 23.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.124 ' CG2' HD11 ' A' ' 126' ' ' LEU . 2.7 mp -106.62 107.07 59.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.01 139.31 24.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 9.7 mt -96.06 3.84 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.668 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tt0 -60.75 -40.85 78.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -27.29 10.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.806 HG23 HG12 ' A' ' 105' ' ' ILE . 1.1 p -89.51 -4.27 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 9.4 m-30 -95.22 -34.1 12.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.9 m -88.55 -34.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.431 ' HG2' HG23 ' A' ' 101' ' ' VAL . 3.5 mm-40 -84.75 -46.11 11.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.78 -4.83 61.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.163 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 105' ' ' ILE . 79.5 p -170.07 128.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.806 HG12 HG23 ' A' ' 99' ' ' VAL . 39.6 mm -126.76 140.84 38.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.55 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 101.93 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -111.62 148.41 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.847 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -83.85 106.06 15.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.589 ' CD2' HG12 ' A' ' 94' ' ' ILE . 95.2 m-85 -86.39 134.86 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.65 121.56 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 92' ' ' ALA . 56.2 t -105.31 113.3 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.1 172.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -148.43 92.62 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 10.9 t0 85.82 -26.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.16 -21.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 113' ' ' VAL . 2.8 mm-40 -85.97 152.1 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.484 ' CD2' HD21 ' A' ' 22' ' ' LEU . 58.5 t80 -88.03 119.98 28.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 4.0 mmpt? -93.42 -23.89 18.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 149.32 -144.17 11.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.732 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 10.0 pt-20 -133.12 146.4 51.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 112' ' ' VAL . 4.5 tt -118.86 122.79 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.847 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.0 m95 -84.55 126.08 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.44 HG23 ' C ' ' A' ' 123' ' ' TRP . 30.2 t -153.68 139.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.589 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -107.68 145.23 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.124 HD11 ' CG2' ' A' ' 94' ' ' ILE . 9.8 mt -119.94 140.85 50.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -148.96 88.66 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.57 ' HB2' HG13 ' A' ' 99' ' ' VAL . 41.1 t80 -73.34 144.38 46.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -127.59 90.69 47.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 146.71 33.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 -179.04 4.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -166.41 130.43 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.9 -136.86 4.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.415 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 54.2 m -130.18 143.48 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.929 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -106.39 144.71 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.861 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.4 tt0 -127.15 102.17 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.929 HG23 HD11 ' A' ' 12' ' ' LEU . 23.2 t -89.17 125.16 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 59.6 t -114.15 91.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD21 ' HB ' ' A' ' 35' ' ' VAL . 7.9 tp -69.82 91.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 107' ' ' PRO . 65.6 t -67.43 -85.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' TRP . 83.8 p -157.72 -167.64 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -156.11 142.38 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HG2' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -134.39 153.37 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.11 -174.49 30.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.739 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.8 mm? -73.4 164.91 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -51.66 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.46 67.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -135.68 119.0 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' ASP . 5.3 t0 -78.45 74.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.523 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 13.9 t80 -125.61 118.91 26.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD13 ' CD ' ' A' ' 56' ' ' PRO . 13.1 mt 75.36 33.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.8 t-20 -63.51 -147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 72.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.2 ptm -144.76 -173.06 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.652 ' HB3' HG13 ' A' ' 48' ' ' VAL . 19.3 m-20 -126.1 71.39 69.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.3 Cg_endo -75.0 150.96 38.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 43.1 p90 -149.14 134.87 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.014 HG22 HG13 ' A' ' 77' ' ' ILE . 87.1 t -92.01 148.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.629 ' OE1' HG21 ' A' ' 84' ' ' THR . 15.2 tt0 -120.16 97.19 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.764 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.04 128.02 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.79 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.7 m -129.58 134.34 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.37 110.66 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 108.309 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.504 ' CD ' ' OG1' ' A' ' 70' ' ' THR . 0.0 OUTLIER 60.26 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -136.81 10.29 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -101.31 114.68 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.03 130.41 55.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -148.3 124.01 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 34' ' ' TYR . 18.6 mtpt -97.52 166.36 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -110.85 169.7 8.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -48.59 158.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HB3' ' A' ' 32' ' ' ASP . 4.0 t -88.34 105.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -63.48 90.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.583 ' HG3' HG12 ' A' ' 48' ' ' VAL . 14.9 mt-10 -77.47 116.24 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.62 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.694 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 5.3 mmt -110.44 -31.22 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 54' ' ' THR . . . 102.72 70.83 0.86 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.511 ' C ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER 43.9 26.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' C ' ' A' ' 54' ' ' THR . 31.4 p -157.07 74.91 4.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.528 ' CD ' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 112.01 3.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' CD ' ' ND2' ' A' ' 59' ' ' ASN . 25.0 tt0 -102.12 132.61 47.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.462 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 17.8 m-90 -113.93 -58.97 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.034 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' LEU . 21.1 m-20 63.41 36.42 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -171.15 2.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 4.7 m -148.75 119.91 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.593 ' CD1' HD23 ' A' ' 37' ' ' LEU . 44.3 m-85 -120.17 133.11 55.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.3 mm -103.42 152.99 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 43.7 m-85 -152.48 129.72 11.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -73.48 130.58 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.44 147.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t -159.04 -52.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -167.9 140.96 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.86 -52.82 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m -69.76 104.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.1 p -130.22 5.09 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -164.41 143.56 7.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.862 HD22 HG21 ' A' ' 14' ' ' VAL . 6.8 tp -99.93 142.31 31.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 123.54 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.85 102.96 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.4 mttp -105.42 132.19 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 1.014 HG13 HG22 ' A' ' 35' ' ' VAL . 4.0 mp -102.27 142.73 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.154 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 78.5 m-85 -143.28 -158.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.738 ' HB3' HG13 ' A' ' 82' ' ' VAL . 14.2 t0 -124.9 126.02 44.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 -29.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 22.0 t70 -70.66 -54.75 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.738 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.4 m -68.93 -163.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.623 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -140.4 155.02 24.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.629 HG21 ' OE1' ' A' ' 36' ' ' GLN . 6.0 p -40.26 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' GLY . 59.7 mt-10 -116.07 82.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.28 -69.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.83 114.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.154 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -93.64 117.85 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.833 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.91 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.47 178.42 46.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -149.07 176.93 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.682 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -161.34 141.97 11.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 23.7 m -100.1 114.72 28.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.0 mt -108.46 100.15 36.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.03 136.75 20.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.619 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 21.2 mt -96.51 6.04 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.716 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.7 tt0 -62.69 -39.83 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -28.47 9.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG22 ' H ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -83.56 -10.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.619 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -92.19 -34.83 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.716 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.3 m -88.87 -35.37 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 101' ' ' VAL . 5.1 mm-40 -86.27 -29.38 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.99 -8.52 50.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 83.7 p -168.48 130.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.476 HG23 ' HD2' ' A' ' 106' ' ' PRO . 16.3 mm -125.03 137.11 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.476 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.628 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 18.2 Cg_endo -74.98 111.13 3.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -124.78 158.4 33.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -89.73 112.37 23.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 90.9 m-85 -89.54 135.81 33.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.95 124.28 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.682 HG22 ' HB2' ' A' ' 92' ' ' ALA . 49.5 t -109.61 112.61 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.89 172.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 45.5 tptt -146.3 90.23 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.687 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 76.5 m-20 81.96 -21.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.539 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.25 -21.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -86.49 137.54 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.739 ' HE2' HD11 ' A' ' 22' ' ' LEU . 64.7 t80 -77.89 101.74 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.554 ' HB2' HG12 ' A' ' 112' ' ' VAL . 7.4 mmpt? -68.49 -42.15 79.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.487 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 170.09 -130.01 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.55 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.5 pt-20 -145.0 143.27 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.794 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.61 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.4 tt -114.4 118.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.471 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 33.9 m95 -78.38 120.67 23.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.604 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 4.6 t -141.79 165.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 107' ' ' PRO . . . -152.63 122.71 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -109.1 140.65 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -134.95 88.49 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.721 ' H ' HG22 ' A' ' 99' ' ' VAL . 26.7 t80 -63.94 159.9 18.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -143.21 88.67 8.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.21 26.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.8 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 113.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.96 -136.92 3.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.501 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 50.0 m -125.48 146.9 49.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.956 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -109.0 148.21 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.874 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.1 tt0 -131.23 110.31 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.987 HG21 HD22 ' A' ' 73' ' ' LEU . 24.9 t -105.38 109.4 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.739 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 96.8 t -96.51 92.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.902 HD13 ' CB ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -64.62 102.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.66 HG12 ' N ' ' A' ' 18' ' ' SER . 7.7 t -81.04 -85.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.66 ' N ' HG12 ' A' ' 17' ' ' VAL . 9.9 p -151.55 -170.19 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.84 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -157.9 136.44 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.1 mttm -112.3 156.71 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -124.43 54.02 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 118' ' ' TYR . 51.8 mt 45.04 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.65 8.5 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.2 41.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 21' ' ' GLY . . . -145.77 128.34 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 8.6 p-10 -82.39 50.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.747 ' CE1' HD13 ' A' ' 28' ' ' LEU . 31.5 t80 -104.68 128.52 52.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER 67.01 20.09 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' MET . 5.3 t-20 -60.75 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.1 74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.1 ptm -149.33 -172.69 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.6 m-20 -132.41 62.99 66.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.0 164.0 34.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 50.7 p90 -143.27 146.02 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.451 HG23 ' CH2' ' A' ' 58' ' ' TRP . 98.4 t -91.19 147.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' OE1' HG21 ' A' ' 84' ' ' THR . 14.4 tt0 -140.29 107.28 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.809 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -76.02 165.45 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.832 HG23 ' HB3' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -149.02 127.14 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' HG21 ' A' ' 70' ' ' THR . 1.8 t -142.45 89.2 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.1 OUTLIER 60.16 96.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' ARG . 76.9 p 32.36 38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -147.04 112.36 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.832 ' HB3' HG23 ' A' ' 38' ' ' THR . 3.1 p30 -125.61 165.34 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 69.1 mt-30 -152.52 120.79 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 20.2 mtmt -86.04 154.77 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.632 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.33 171.11 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -48.37 152.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.551 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.3 t -78.7 133.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.21 82.66 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.7 mt-10 -73.79 119.41 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.87 64.65 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.24 -32.16 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 105.79 -171.67 18.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -65.12 -9.88 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.498 HG22 ' CG ' ' A' ' 20' ' ' LYS . 20.4 p -126.81 72.54 75.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HD2' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 131.08 13.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 60.1 mp0 -108.19 125.75 52.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.902 ' CB ' HD13 ' A' ' 16' ' ' LEU . 19.6 m-90 -104.3 -46.76 4.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 108.004 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER 54.12 34.98 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -84.55 -177.48 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -150.8 122.63 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.809 ' CD1' HD23 ' A' ' 37' ' ' LEU . 81.4 m-85 -121.16 147.1 46.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.501 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 4.5 mm -118.55 143.14 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.587 ' HD2' HD12 ' A' ' 12' ' ' LEU . 73.4 m-85 -142.3 154.22 44.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -93.65 129.18 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.752 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 26.8 t -114.19 149.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -156.64 -76.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -145.13 145.58 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.22 -58.15 4.74 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.496 HG21 ' SG ' ' A' ' 39' ' ' CYS . 17.4 m -70.41 105.27 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 p -131.55 12.92 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.25 153.45 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.987 HD22 HG21 ' A' ' 14' ' ' VAL . 3.8 tp -112.86 139.88 48.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 127.98 53.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -121.58 114.43 21.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 12.9 mttp -117.73 141.23 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.7 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.4 mp -116.44 149.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.792 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 5.6 m-85 -147.97 -154.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' VAL . 28.4 t70 -121.26 136.94 54.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.47 ' HE3' ' CB ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -45.63 -29.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 3.8 t0 -99.5 40.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 86' ' ' ASP . 52.5 t -152.33 148.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -92.73 139.73 14.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.607 HG21 ' OE1' ' A' ' 36' ' ' GLN . 9.3 p -35.73 -37.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.34 63.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.563 ' HB3' HG13 ' A' ' 82' ' ' VAL . 2.0 t0 -140.52 -52.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -177.72 109.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.792 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -87.16 135.39 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.7 ' CG2' HG22 ' A' ' 77' ' ' ILE . 2.9 m -71.29 -35.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.415 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -169.61 164.87 38.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -145.39 167.24 23.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -154.48 151.47 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.0 m -107.73 112.16 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.008 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.0 mt -107.04 102.53 43.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 137.97 22.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.618 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.9 mt -99.74 3.87 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.705 ' O ' HG13 ' A' ' 101' ' ' VAL . 3.9 tt0 -62.74 -40.15 61.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.6 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.586 HG23 HG12 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -76.28 -11.02 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.752 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 16.0 m-30 -93.45 -29.89 15.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.2 m -92.56 -36.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.4 mm-40 -84.45 -33.11 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.09 -8.95 71.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -172.84 130.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.586 HG12 HG23 ' A' ' 99' ' ' VAL . 5.0 mm -125.44 140.15 35.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.95 170.81 19.58 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -117.16 149.77 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.892 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -81.8 103.3 11.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.504 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.4 m-85 -82.24 134.75 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -47.01 128.97 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 92' ' ' ALA . 42.3 t -113.91 114.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.93 171.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 10.4 tppt? -152.31 90.75 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 90.12 -26.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 154.95 -19.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -85.41 137.66 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.467 ' CD2' HD11 ' A' ' 22' ' ' LEU . 59.2 t80 -77.23 100.4 5.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.587 ' HB2' HG12 ' A' ' 112' ' ' VAL . 1.7 mmpt? -66.0 -59.1 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -173.75 -124.32 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.677 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 8.8 pt-20 -150.15 145.72 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.84 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.0 tt -116.67 122.54 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.892 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.6 m95 -84.79 123.15 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.533 ' CG1' HG13 ' A' ' 14' ' ' VAL . 25.1 t -153.09 137.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.739 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -103.32 142.95 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.008 HD11 ' CG2' ' A' ' 94' ' ' ILE . 19.0 mt -117.11 133.58 55.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.54 102.68 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 99' ' ' VAL . 36.2 t80 -85.18 153.8 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 40.8 mttp -137.52 91.26 14.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.56 29.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -178.35 127.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.41 -150.58 18.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 19.0 m -111.6 151.04 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.946 HD11 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -113.25 141.44 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.671 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -124.48 109.5 13.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.129 HG21 HD22 ' A' ' 73' ' ' LEU . 30.3 t -98.86 123.43 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.16 91.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.76 94.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 107' ' ' PRO . 73.2 t -72.14 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -149.4 -174.16 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -151.6 130.96 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.866 ' CG ' HG22 ' A' ' 55' ' ' THR . 4.7 mttt -112.8 138.71 49.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.57 -151.9 14.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.776 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 52.5 mt -107.51 165.55 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.42 -18.59 33.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -127.83 46.42 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -162.42 132.42 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -85.18 90.25 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -130.05 120.67 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.696 HD22 ' CG ' ' A' ' 33' ' ' PRO . 39.0 mt 69.66 32.7 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' LEU . 1.8 t-20 -60.6 -145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.97 74.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.433 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 5.1 ptm -146.97 -174.62 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 23.9 m-20 -121.94 74.54 37.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.696 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 172.12 16.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 26.4 p90 -168.51 135.01 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.709 HG22 HG13 ' A' ' 77' ' ' ILE . 98.1 t -91.18 146.87 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -115.3 96.53 5.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.823 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.9 119.41 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 73' ' ' LEU . 39.0 m -124.94 138.3 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.497 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -141.47 89.36 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.235 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 65.81 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 p -111.44 -5.66 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -92.67 116.6 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.77 118.65 30.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' LEU . 51.1 mt-30 -137.64 127.08 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -100.35 165.53 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.67 159.95 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 58' ' ' TRP . 4.5 m120 -47.9 148.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 80' ' ' LYS . 14.2 t -74.61 132.83 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.46 88.87 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.09 132.62 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.01 64.13 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.541 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -112.5 -31.96 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.033 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 97.17 -156.75 20.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 p -81.87 10.59 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.866 HG22 ' CG ' ' A' ' 20' ' ' LYS . 9.0 p -140.32 64.27 24.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.3 Cg_endo -74.97 149.43 36.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 8.2 tt0 -124.42 166.19 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 23.7 m-90 -145.78 -48.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 43.3 m-80 56.1 32.91 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.41 -172.86 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 m -152.74 120.37 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.823 ' CG ' HD23 ' A' ' 37' ' ' LEU . 20.7 m-85 -118.13 138.25 52.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.6 mm -109.77 147.42 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 71.7 m-85 -148.52 123.13 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -62.14 128.55 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 20.1 t -111.92 141.88 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -158.19 -60.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.64 137.03 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.05 -50.45 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.5 m -66.57 94.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -132.98 8.76 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -161.17 145.41 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.129 HD22 HG21 ' A' ' 14' ' ' VAL . 14.3 tp -104.76 145.72 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.48 123.42 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.42 102.78 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 11.2 mttm -102.16 120.98 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 1.01 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.4 mp -82.93 131.23 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.891 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 61.3 m-85 -134.38 -173.91 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' VAL . 9.1 t70 -124.86 130.52 52.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.566 ' HD3' HG11 ' A' ' 48' ' ' VAL . 3.5 ttpt -43.26 -37.9 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.569 ' O ' HG23 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -88.91 42.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 81' ' ' ASP . 53.6 t -157.82 146.91 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -92.17 134.96 12.48 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -38.62 -31.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' GLY . 36.7 mt-10 -104.7 50.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.502 ' HB3' HG13 ' A' ' 82' ' ' VAL . 26.5 t0 -129.71 -63.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.54 114.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.891 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -82.84 116.26 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.01 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.88 -27.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 179.58 -179.88 48.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.48 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.93 170.16 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.731 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -155.64 151.94 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 m -111.95 114.24 27.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.675 HG22 HD11 ' A' ' 126' ' ' LEU . 3.1 mt -109.39 99.59 37.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -74.96 137.76 22.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD13 ' HG ' ' A' ' 12' ' ' LEU . 3.1 mt -98.8 14.85 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.796 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -74.22 -32.72 1.51 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.01 -25.95 11.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.897 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -90.44 -26.02 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.672 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 9.0 m-30 -68.6 -29.49 68.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.7 m -95.87 -48.2 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.4 mm-40 -72.14 -42.88 65.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.88 -10.98 66.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.3 p -168.59 126.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.897 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.3 mm -126.39 140.76 38.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.574 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.97 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -119.2 141.87 48.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.802 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -71.06 100.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 94' ' ' ILE . 53.2 m-85 -80.19 135.18 36.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.66 122.09 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.731 HG22 ' HB2' ' A' ' 92' ' ' ALA . 22.6 t -107.02 111.13 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.539 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.26 171.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -148.35 94.05 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 5.5 t0 85.81 -26.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.06 -21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.539 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.31 151.55 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.727 ' HE2' HD21 ' A' ' 22' ' ' LEU . 67.9 t80 -89.26 119.05 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.484 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.9 mmpt? -89.86 -52.16 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.33 -135.45 2.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.758 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 9.1 pt-20 -143.8 147.73 34.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 19' ' ' ALA . 9.7 tt -119.98 122.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.802 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 33.8 m95 -84.23 124.36 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 5.9 t -151.56 134.97 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -117.46 134.21 55.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.73 ' HB2' HG11 ' A' ' 99' ' ' VAL . 2.8 mt -106.05 161.33 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.22 74.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 35.0 t80 -55.62 157.83 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -141.68 91.01 8.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.99 29.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.769 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -176.77 126.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.02 -115.15 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.514 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 22.3 m -141.03 158.23 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' HG21 ' A' ' 66' ' ' VAL . 4.4 tp -124.44 144.8 49.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.6 tt0 -121.12 119.09 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.596 HG11 ' HG ' ' A' ' 37' ' ' LEU . 73.7 t -110.81 114.19 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.787 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.3 t -105.78 95.91 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 35' ' ' VAL . 21.5 tp -73.25 90.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 107' ' ' PRO . 47.9 t -66.09 -86.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 17' ' ' VAL . 4.9 p -150.51 -169.98 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -155.57 136.97 14.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -122.45 150.32 42.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.07 -173.93 33.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.712 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 3.5 mm? -65.94 -170.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -85.33 -36.21 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -134.91 61.29 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -147.35 124.8 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 105.08 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -143.61 110.2 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 77' ' ' ILE . 1.6 mt 70.26 52.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.626 ' HB2' HG22 ' A' ' 54' ' ' THR . 19.2 t-20 -131.12 126.1 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.81 35.93 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.405 ' HE1' HD23 ' A' ' 28' ' ' LEU . 8.5 ptm -154.05 -179.83 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.5 m-20 -128.94 72.82 81.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.1 Cg_endo -75.06 155.78 42.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 46.6 p90 -141.06 147.73 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 16' ' ' LEU . 49.8 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 34.9 tt0 -130.65 97.37 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -65.23 151.19 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 42' ' ' GLN . 7.5 m -149.02 125.41 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -142.4 86.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.0 OUTLIER 56.01 115.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' ARG . 44.7 p 32.45 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.846 ' O ' HG23 ' A' ' 38' ' ' THR . 14.2 mt-30 -135.44 145.03 46.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 4.3 p30 -149.37 121.15 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.592 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -133.08 120.97 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 28.9 mtpt -103.6 155.98 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.581 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 7.2 p -111.35 176.33 5.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -48.54 153.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 80' ' ' LYS . 12.1 t -86.9 111.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -58.78 85.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' VAL . 43.0 mt-10 -78.35 120.24 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.72 64.82 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -31.8 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 107.16 -163.28 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.626 HG22 ' HB2' ' A' ' 29' ' ' ASN . 41.3 p -75.3 0.29 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.533 HG22 ' CG ' ' A' ' 20' ' ' LYS . 10.6 p -130.49 69.36 82.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 137.04 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.26 140.02 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.581 ' CD1' ' OG ' ' A' ' 46' ' ' SER . 24.0 m-90 -120.93 -44.59 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 49.79 30.38 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -85.98 179.87 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -145.19 124.03 12.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.695 ' CD2' HD23 ' A' ' 37' ' ' LEU . 99.0 m-85 -119.64 152.41 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 7.4 mm -124.46 141.55 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 69.5 m-85 -136.05 154.75 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -90.24 110.55 21.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 12' ' ' LEU . 14.9 t -93.71 112.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 68' ' ' GLU . 5.2 t -153.08 85.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' SER . 19.5 tt0 57.22 155.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 -54.95 2.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -69.72 111.55 5.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.644 ' C ' HD22 ' A' ' 96' ' ' LEU . 16.6 p -140.34 14.85 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.841 ' N ' HD22 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -175.59 146.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 37' ' ' LEU . 4.7 tp -102.35 142.36 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 115.0 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -104.98 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 15.3 mttp -122.24 116.14 23.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.94 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -83.76 135.44 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.944 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 76.4 m-85 -133.56 -171.11 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.508 ' OD1' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -123.26 129.54 51.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.92 -42.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 82' ' ' VAL . 10.4 m-20 -86.68 44.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 81' ' ' ASP . 72.9 t -158.07 150.5 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -92.83 133.06 11.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.498 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 20.6 p -38.17 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.4 pt-20 -107.36 54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 62.0 t0 -133.8 -59.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.68 121.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.944 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -92.06 115.96 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.94 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -42.54 -28.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.66 176.95 48.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.1 pp20? -150.48 165.59 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.818 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.41 151.26 32.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 m -107.24 113.3 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.923 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -110.27 97.68 32.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.887 ' C ' HD13 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 150.45 38.2 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.951 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -105.54 -4.41 21.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 101' ' ' VAL . 2.3 tt0 -52.81 -42.77 91.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -26.23 11.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -89.43 -7.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 10.4 m-30 -92.82 -35.14 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.6 m -85.11 -36.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.507 ' HG2' HG23 ' A' ' 101' ' ' VAL . 2.9 mm-40 -83.67 -48.41 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.99 -9.74 55.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.1 p -169.02 130.01 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 99' ' ' VAL . 5.2 mm -127.9 140.4 38.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.02 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.611 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 103.34 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.56 149.8 30.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.729 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -79.22 105.03 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CD2' HG12 ' A' ' 94' ' ' ILE . 68.2 m-85 -85.62 135.68 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -50.78 126.63 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 92' ' ' ALA . 38.4 t -112.97 113.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.444 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.04 169.38 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 15.1 tptt -140.96 88.12 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 3.8 t0 86.12 -21.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.0 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.444 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -88.43 135.97 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.459 ' CD2' HD11 ' A' ' 22' ' ' LEU . 63.3 t80 -75.2 112.74 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 9.9 mmpt? -84.93 -26.59 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 156.65 -144.55 10.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.63 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 6.3 pt-20 -133.26 148.55 51.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.593 ' HB ' HG21 ' A' ' 112' ' ' VAL . 9.7 tt -120.55 124.96 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.729 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 38.2 m95 -86.73 123.81 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.2 t -151.18 143.27 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -111.04 147.91 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.923 HD11 ' CG2' ' A' ' 94' ' ' ILE . 18.3 mt -123.46 139.88 53.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.18 95.65 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 99' ' ' VAL . 40.5 t80 -74.54 139.5 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -125.63 95.1 41.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.18 16.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 128' ' ' PHE . 18.1 Cg_endo -75.02 -172.59 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.561 1.821 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -170.34 126.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.49 -139.59 5.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 33.7 m -114.7 154.52 28.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.8 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 66' ' ' VAL . 3.9 tp -119.4 150.33 40.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.4 tt0 -129.0 120.72 26.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.672 HG21 HD22 ' A' ' 73' ' ' LEU . 52.5 t -113.35 108.21 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.4 t -98.66 104.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 HD11 HG21 ' A' ' 35' ' ' VAL . 41.9 tp -82.71 93.98 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.57 -86.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 3.5 p -149.26 -172.2 4.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -154.32 119.27 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -109.79 159.77 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.55 -167.43 19.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 118' ' ' TYR . 1.5 mm? -86.29 -159.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -81.49 -51.05 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 49.6 m-20 -108.62 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.1 117.58 14.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 26' ' ' ASP . 22.7 t70 -85.67 46.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.654 ' CE2' HD11 ' A' ' 28' ' ' LEU . 19.3 t80 -91.15 118.1 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD11 ' CE2' ' A' ' 27' ' ' PHE . 5.4 mt 66.28 60.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -130.35 124.51 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 53.75 58.27 5.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 33' ' ' PRO . 10.6 ptm -166.34 -179.4 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.714 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.3 m-20 -126.88 71.27 74.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.99 149.15 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 49.0 p90 -140.21 145.24 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 77' ' ' ILE . 60.8 t -91.67 144.47 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 37.8 tt0 -123.23 95.78 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.706 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.27 129.88 41.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.713 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.9 m -127.7 133.99 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -139.88 89.41 2.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 64.18 -86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -118.16 0.42 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.57 126.47 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -128.91 130.66 47.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -148.13 124.34 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 1.4 mtpt -100.18 165.11 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -111.22 169.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -48.52 160.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.714 HG13 ' HB3' ' A' ' 32' ' ' ASP . 3.7 t -88.68 120.48 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -68.98 85.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HG3' HG12 ' A' ' 48' ' ' VAL . 19.9 mt-10 -75.14 112.21 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.21 68.82 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.83 -31.94 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.41 -154.69 16.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.0 p -83.31 1.15 42.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -134.89 67.83 70.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.03 126.9 10.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 mt-10 -101.78 137.23 40.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -114.88 -39.84 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 48.25 32.1 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -87.8 179.53 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -147.39 119.97 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 85.8 m-85 -115.87 151.53 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.57 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -124.67 142.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 74.3 m-85 -144.35 130.5 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -66.43 129.52 40.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.507 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 94.0 t -110.79 149.85 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 p -175.75 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.33 145.88 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.42 -56.04 4.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.472 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 2.6 m -57.34 96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 110.363 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.624 ' C ' HD22 ' A' ' 96' ' ' LEU . 3.5 p -132.45 12.61 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.856 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pt-20 -178.24 144.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 38' ' ' THR . 12.2 tp -101.27 146.39 27.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 116.35 31.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -106.05 104.64 14.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 22.4 mttp -109.36 116.51 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 1.004 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -83.86 130.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.868 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 45.1 m-85 -128.24 -173.12 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 82' ' ' VAL . 52.1 t0 -125.5 128.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -37.83 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 79' ' ' ASP . 6.2 m-20 -62.01 -56.18 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.665 HG22 ' HB2' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -67.04 -168.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.673 ' C ' HG23 ' A' ' 84' ' ' THR . . . -151.76 49.0 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.673 HG23 ' C ' ' A' ' 83' ' ' GLY . 1.2 p 65.52 -55.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLY . 24.0 mt-10 -78.07 76.42 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.665 ' HB2' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.71 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.07 136.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -103.4 122.21 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.004 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -40.54 -29.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.449 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.25 176.5 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -150.11 167.81 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.708 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -154.08 154.32 33.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.9 m -111.15 114.53 27.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.861 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -111.28 97.36 35.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.893 ' C ' HD13 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.07 150.74 38.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -106.17 -3.41 21.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.664 ' O ' HG13 ' A' ' 101' ' ' VAL . 2.4 tt0 -51.65 -42.96 86.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.04 -29.58 8.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.813 HG23 HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -85.21 -4.86 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 11.0 m-30 -97.91 -30.05 12.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.3 m -93.68 -34.8 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HB2' HD11 ' A' ' 105' ' ' ILE . 11.0 mm-40 -81.8 -49.36 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.19 -6.47 50.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.462 ' O ' HD13 ' A' ' 105' ' ' ILE . 95.3 p -176.81 122.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.813 HG12 HG23 ' A' ' 99' ' ' VAL . 31.7 mm -116.22 140.17 26.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 168.08 25.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.95 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.75 148.4 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.819 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -75.9 105.36 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 122' ' ' ILE . 69.9 m-85 -83.27 140.13 32.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.17 131.6 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.708 HG22 ' HB2' ' A' ' 92' ' ' ALA . 53.9 t -119.22 112.5 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.23 169.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 44.1 tptt -143.12 89.34 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.561 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 4.5 t0 87.05 -22.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.561 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.12 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.7 138.09 31.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.803 ' HE2' HD11 ' A' ' 22' ' ' LEU . 65.0 t80 -77.36 111.61 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 7.4 mmpt? -80.12 -36.48 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 167.19 -139.94 6.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.7 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 10.8 pt-20 -135.66 148.56 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.556 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.5 tt -120.72 119.99 61.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.819 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.3 m95 -82.27 124.53 30.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 13.3 t -152.25 149.73 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.639 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -119.23 143.47 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.861 HD11 ' CG2' ' A' ' 94' ' ' ILE . 16.5 mt -116.96 134.33 54.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.12 105.56 5.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.48 ' HB2' HG13 ' A' ' 99' ' ' VAL . 29.3 t80 -87.91 141.98 28.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -129.03 93.81 35.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 173.46 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.62 -142.74 7.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 88.3 m -112.66 145.45 40.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.954 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -115.04 143.83 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.903 ' N ' HD22 ' A' ' 12' ' ' LEU . 1.8 tt0 -120.69 123.76 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.954 ' CG2' HD11 ' A' ' 12' ' ' LEU . 61.6 t -115.34 111.27 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 44.9 t -100.95 90.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.66 91.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 18' ' ' SER . 54.4 t -69.09 -86.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 57' ' ' GLU . 83.8 p -154.31 -176.33 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -140.12 157.26 45.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.21 146.89 51.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.17 158.19 14.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.671 HD21 ' CD2' ' A' ' 118' ' ' TYR . 1.1 mm? -58.95 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.31 -26.86 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.38 56.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.32 121.89 9.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.1 61.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.657 ' CD1' HD13 ' A' ' 28' ' ' LEU . 34.2 t80 -122.8 122.77 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.657 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER 64.6 76.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -157.86 124.22 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 t30 54.74 49.76 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.9 ptm -160.94 -179.21 7.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.611 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 79.9 m-20 -137.69 74.12 46.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.99 169.52 22.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.9 p90 -153.01 144.68 23.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 122' ' ' ILE . 19.7 t -90.06 141.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 9.4 tt0 -122.3 95.65 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.921 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.4 118.16 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.924 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.9 m -114.15 137.28 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 3.4 t -141.68 105.93 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.95 -95.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.41 -21.62 8.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.569 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 4.6 pt20 -91.51 125.62 36.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.733 ' HB3' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -132.75 136.04 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -133.23 122.22 23.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -110.88 165.39 11.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.08 166.48 10.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -49.72 178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.611 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 5.7 m -88.73 148.86 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.861 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -77.65 82.78 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLY . 21.5 mt-10 -64.23 128.82 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.04 73.31 0.1 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.861 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 mmt -115.92 -32.87 5.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.11 -127.13 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' LEU . 1.4 p -105.52 12.26 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.394 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 1.2 p -141.62 75.53 21.86 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.5 Cg_endo -74.95 123.69 8.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 18' ' ' SER . 9.4 tt0 -118.6 130.13 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.458 ' CH2' ' HB2' ' A' ' 56' ' ' PRO . 12.4 m-90 -109.04 -50.24 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 61.95 40.75 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -98.08 -173.75 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m -147.81 126.93 12.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.616 ' CD2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -125.31 134.19 52.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.1 mm -106.77 155.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 19.6 m-85 -147.71 -178.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -122.64 100.03 6.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 t -82.4 152.9 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 p -145.75 -86.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -142.5 154.38 44.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.19 -55.3 2.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.8 m -66.32 95.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 p -123.87 27.68 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.7 OUTLIER -164.71 155.92 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 38' ' ' THR . 6.8 tp -117.46 145.23 44.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -106.63 122.92 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -117.96 104.92 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 18.1 mttp -107.2 127.61 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.724 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -86.74 137.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.049 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 96.3 m-85 -143.71 140.1 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.682 ' O ' HG12 ' A' ' 82' ' ' VAL . 32.1 t0 -65.52 167.86 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -73.63 -4.36 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.18 57.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.6 p -161.61 166.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.519 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -119.23 137.47 12.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.502 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 62.9 p -33.62 -37.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' GLY . 43.6 mt-10 -104.47 65.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 8.1 t0 -147.88 -68.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.25 123.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.049 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -102.79 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.724 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -41.39 -29.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -176.85 175.52 47.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -149.0 166.16 29.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.37 142.84 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.5 m -97.81 116.62 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.992 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.6 mt -110.38 97.81 33.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -75.0 136.07 19.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.578 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.8 mt -97.39 4.32 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -62.03 -40.68 70.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.665 ' O ' HD11 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.0 -23.51 13.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.776 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -90.6 -2.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 14.1 m-30 -100.47 -33.78 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.5 m -90.65 -29.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.87 -43.12 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.55 -12.18 66.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.569 ' O ' HD13 ' A' ' 105' ' ' ILE . 4.2 m -165.19 131.48 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 99' ' ' VAL . 42.3 mm -125.43 138.73 32.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.482 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 m -116.81 151.54 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.89 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -86.57 110.97 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' HG12 ' A' ' 94' ' ' ILE . 74.8 m-85 -88.09 126.73 35.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.2 OUTLIER -39.92 123.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.65 HG12 ' HB2' ' A' ' 119' ' ' LYS . 15.1 t -104.88 98.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -105.44 166.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.1 OUTLIER -141.99 90.63 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.562 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 3.4 t70 84.34 -22.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.12 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.4 mt-10 -86.29 135.69 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.671 ' CD2' HD21 ' A' ' 22' ' ' LEU . 33.3 t80 -77.19 110.96 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.65 ' HB2' HG12 ' A' ' 112' ' ' VAL . 10.9 mmpt? -86.5 -23.04 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.552 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 153.29 -123.7 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.53 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.9 pt-20 -156.27 159.35 38.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 35' ' ' VAL . 19.4 tt -127.07 125.07 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.89 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 34.8 m95 -88.6 123.58 33.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.481 HG23 ' C ' ' A' ' 123' ' ' TRP . 48.8 t -155.4 132.63 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.67 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -100.21 145.41 28.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.992 HD11 ' CG2' ' A' ' 94' ' ' ILE . 16.2 mt -121.37 142.99 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 m -148.26 100.01 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.518 ' HB2' HG13 ' A' ' 99' ' ' VAL . 34.5 t80 -79.66 155.83 27.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -142.26 91.33 7.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.947 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.87 128.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.16 -138.76 5.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.9 m -109.71 153.81 23.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.839 HD11 HD22 ' A' ' 96' ' ' LEU . 1.2 tp -127.06 145.64 50.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.489 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -116.68 128.45 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG11 ' HG ' ' A' ' 37' ' ' LEU . 85.9 t -118.87 107.36 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 39.0 t -99.75 90.88 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD21 ' HB ' ' A' ' 35' ' ' VAL . 22.1 tp -72.49 85.22 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 18' ' ' SER . 67.2 t -62.52 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.469 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 30.8 t -155.06 -169.4 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -155.66 139.7 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 55' ' ' THR . 4.7 mttt -123.2 144.27 49.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.4 -149.59 21.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.645 HD21 ' HE2' ' A' ' 118' ' ' TYR . 17.4 mt -113.22 -179.71 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -11.71 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.65 42.07 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.58 115.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.7 t0 -77.49 104.05 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.1 t80 -141.3 119.72 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.84 HD13 ' CG ' ' A' ' 56' ' ' PRO . 50.0 mt 71.36 35.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' MET . 4.0 t-20 -59.02 -151.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -68.32 68.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.491 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -137.71 -173.77 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.556 ' CA ' ' O ' ' A' ' 48' ' ' VAL . 18.4 m-20 -121.08 71.95 23.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.699 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.94 172.97 15.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 19.4 p90 -162.45 139.76 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.537 HG23 ' CH2' ' A' ' 58' ' ' TRP . 55.6 t -89.88 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' CB ' ' HG2' ' A' ' 45' ' ' LYS . 35.5 tt0 -128.6 98.4 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -68.57 157.09 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.749 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.6 m -153.38 134.36 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -142.04 91.13 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.26 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.26 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 p -122.75 42.39 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' CYS . 3.7 pt20 -153.45 121.79 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' HG23 ' A' ' 38' ' ' THR . 1.2 p30 -127.7 149.66 50.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -144.62 122.14 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 27.0 mtmm -104.93 155.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.476 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.08 -175.26 2.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 46' ' ' SER . 9.5 m-20 -48.0 177.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.631 ' O ' ' C ' ' A' ' 49' ' ' ALA . 27.8 m -102.98 39.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 20.08 73.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 51' ' ' GLY . 20.3 mt-10 -61.32 111.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 34.25 97.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.476 ' HG2' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -116.22 -34.38 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 55' ' ' THR . . . 102.51 76.78 1.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.52 ' C ' HG23 ' A' ' 55' ' ' THR . 16.7 p 40.75 27.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.52 HG23 ' C ' ' A' ' 54' ' ' THR . 36.9 p -157.22 73.61 4.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.84 ' CG ' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 105.33 2.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 5.2 tt0 -102.16 140.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.584 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 24.0 m-90 -121.22 -51.51 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 62.04 33.32 17.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -172.97 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -147.0 120.82 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CD2' HD23 ' A' ' 37' ' ' LEU . 45.7 m-85 -124.48 116.25 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 15.4 mm -83.28 146.21 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HB2' HD23 ' A' ' 12' ' ' LEU . 49.7 m-85 -137.07 126.2 24.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -67.34 120.07 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 12' ' ' LEU . 98.7 t -104.84 140.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -153.86 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.47 143.93 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.05 -41.17 3.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.409 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 6.8 m -69.23 88.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -115.36 -15.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.3 pt-20 -145.31 159.83 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 38' ' ' THR . 16.2 tp -115.08 145.18 42.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -111.06 125.49 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.75 106.87 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 7.6 mttp -105.94 126.45 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 1.008 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -84.47 142.02 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CE2' ' HA ' ' A' ' 84' ' ' THR . 87.9 m-85 -141.84 -170.83 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.489 ' HB2' HG21 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -131.96 140.95 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 22.1 tttt -42.3 -38.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 82' ' ' VAL . 2.0 m-20 -106.7 71.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.641 HG12 ' N ' ' A' ' 83' ' ' GLY . 6.1 t -153.79 -83.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.641 ' N ' HG12 ' A' ' 82' ' ' VAL . . . 123.59 130.56 3.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.599 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 21.0 p -46.72 -27.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ASP . 2.1 mt-10 -90.89 -48.79 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' GLU . 4.2 t0 -34.43 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' O ' HG11 ' A' ' 82' ' ' VAL . 34.4 t70 -174.45 156.16 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -110.47 117.6 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.008 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -48.72 -25.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.94 47.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -155.95 167.04 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.679 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.28 143.98 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.3 m -104.13 113.51 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.044 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -108.55 101.17 41.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.01 139.94 24.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.839 HD22 HD11 ' A' ' 12' ' ' LEU . 11.5 mt -99.19 10.71 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.715 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -68.83 -38.17 11.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -74.95 -25.4 12.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 96' ' ' LEU . 1.4 p -86.35 -5.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -96.02 -30.83 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.3 m -95.12 -32.54 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.14 -38.57 17.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.13 -7.11 81.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -175.14 123.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.506 HG23 ' HD2' ' A' ' 106' ' ' PRO . 37.4 mm -112.55 137.27 21.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.29 2.68 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.72 150.55 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.02 101.8 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CD2' HG12 ' A' ' 94' ' ' ILE . 73.6 m-85 -78.45 138.38 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.87 126.48 16.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 92' ' ' ALA . 24.7 t -112.58 112.41 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.458 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.86 169.86 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 34.9 tptt -141.58 88.99 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 1.9 t70 86.7 -22.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.26 -20.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.458 ' C ' HG12 ' A' ' 113' ' ' VAL . 1.2 mt-10 -88.1 138.04 31.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.241 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.645 ' HE2' HD21 ' A' ' 22' ' ' LEU . 67.9 t80 -76.89 118.01 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.423 ' HB2' HG12 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -87.94 -54.14 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . -171.66 -126.37 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.756 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 7.7 pt-20 -150.38 151.14 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.487 HG13 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tt -121.28 126.21 74.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.705 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 40.0 m95 -89.19 121.93 31.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 123' ' ' TRP . 31.4 t -152.48 140.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.629 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -112.71 139.17 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.044 HD11 ' CG2' ' A' ' 94' ' ' ILE . 6.2 mt -115.16 134.3 55.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -136.76 107.41 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -86.95 147.98 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -137.77 91.3 13.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 144.38 30.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.969 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -171.69 136.42 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.561 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.05 -145.9 12.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 30.5 m -114.27 148.62 37.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.914 HD22 ' H ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -115.6 145.91 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.914 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -122.99 121.81 37.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.876 ' CG2' HD11 ' A' ' 12' ' ' LEU . 86.8 t -111.31 111.17 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.825 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 56.3 t -100.79 88.31 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 35' ' ' VAL . 14.2 tp -69.87 92.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 18' ' ' SER . 38.3 t -68.45 -89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.565 ' N ' HG12 ' A' ' 17' ' ' VAL . 40.5 p -157.6 -177.73 6.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -137.34 148.37 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.63 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.0 mttm -130.16 152.74 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.37 172.41 19.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.772 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.9 mm? -70.36 -168.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -39.04 20.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -111.08 60.48 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.5 118.42 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' CG ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.51 -49.95 67.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.674 ' CG ' HD22 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 52.45 -127.64 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.674 HD22 ' CG ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -66.2 -3.27 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.575 ' HA ' HG22 ' A' ' 54' ' ' THR . 4.8 t-20 -32.84 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.05 72.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.453 ' SD ' ' HA ' ' A' ' 28' ' ' LEU . 7.8 mtp -147.56 178.78 8.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.664 ' HB3' HG13 ' A' ' 48' ' ' VAL . 11.5 m-20 -135.4 57.55 20.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 18.1 Cg_endo -75.03 166.95 28.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.5 p90 -149.12 134.27 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 77' ' ' ILE . 47.5 t -87.87 145.34 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -125.16 94.31 4.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -63.89 131.07 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.769 ' O ' HD12 ' A' ' 73' ' ' LEU . 64.7 m -128.59 138.78 52.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 70' ' ' THR . 42.1 t -142.69 115.18 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 55.92 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 47.9 p -136.79 37.89 2.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.488 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 2.8 pt20 -139.28 113.89 9.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 1.2 p-10 -111.27 154.01 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -152.71 121.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 5.1 mtmt -90.11 156.93 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -111.01 161.95 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -48.34 156.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 32' ' ' ASP . 6.0 t -81.14 128.8 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -70.37 76.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -68.98 121.83 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.83 77.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.693 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 12.2 mmt -115.45 -31.76 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 -144.22 16.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.575 HG22 ' HA ' ' A' ' 29' ' ' ASN . 9.1 p -85.61 9.1 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.63 HG22 ' CG ' ' A' ' 20' ' ' LYS . 16.7 p -140.99 81.53 16.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.548 ' O ' ' CZ3' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.03 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 5.5 tt0 -94.31 150.26 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 22.2 m-90 -126.33 -51.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 25.2 m-20 61.35 38.52 16.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.39 -173.86 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 m -151.7 121.78 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.767 ' CG ' HD23 ' A' ' 37' ' ' LEU . 34.4 m-85 -118.52 143.39 46.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.5 mm -114.66 147.82 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.649 ' HD2' HD12 ' A' ' 12' ' ' LEU . 34.7 m-85 -140.74 164.36 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 109.27 21.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.2 145.07 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -145.85 -67.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' NH1' ' A' ' 40' ' ' ARG . 8.4 pt-20 -161.89 151.12 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.78 -54.66 4.36 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' SG ' ' A' ' 39' ' ' CYS . 1.6 m -69.93 107.12 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 p -127.58 17.92 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.24 158.13 18.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 38' ' ' THR . 5.9 tp -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -103.03 123.4 46.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -119.8 110.78 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 27.2 mttp -114.75 137.61 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.665 HG22 ' CG1' ' A' ' 89' ' ' VAL . 4.8 mp -101.75 134.28 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 89.9 m-85 -137.4 146.41 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.881 ' HB3' HG13 ' A' ' 82' ' ' VAL . 41.7 t0 -76.74 135.67 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -46.67 -24.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -78.35 -40.0 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.2 m -84.6 -176.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -130.83 151.58 19.64 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 24.4 p -38.23 -32.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.1 pt-20 -118.64 84.42 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.92 -71.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -158.89 86.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -51.0 151.13 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.665 ' CG1' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -100.63 -10.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.531 ' O ' HD12 ' A' ' 77' ' ' ILE . . . 169.02 156.81 10.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.471 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -147.32 161.37 41.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.655 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.51 145.16 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 m -98.61 116.23 30.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.909 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.7 mt -109.49 99.61 37.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.29 18.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 8.9 mt -97.16 7.84 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.684 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -64.73 -39.6 40.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.03 -26.03 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -86.56 -1.75 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.8 m-30 -101.75 -30.76 11.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.7 m -95.21 -29.34 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.98 -46.92 8.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.35 -13.86 56.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -169.58 124.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 99' ' ' VAL . 36.5 mm -114.29 139.08 23.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 168.89 23.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 101.91 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -113.92 150.94 32.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.831 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.61 102.36 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.492 ' O ' HG23 ' A' ' 112' ' ' VAL . 74.6 m-85 -79.81 134.16 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -48.32 124.05 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.657 HG12 ' HB2' ' A' ' 119' ' ' LYS . 51.9 t -109.76 115.02 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -117.76 168.25 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 8.1 tppt? -147.96 89.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 8.7 t0 89.16 -25.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.51 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -83.94 136.1 34.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.772 ' HE2' HD11 ' A' ' 22' ' ' LEU . 81.7 t80 -77.72 97.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.657 ' HB2' HG12 ' A' ' 112' ' ' VAL . 6.1 mmtt -61.35 -45.23 95.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.467 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 169.78 -126.78 1.4 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.831 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 9.4 pt-20 -145.73 143.19 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.586 ' HB ' HG21 ' A' ' 112' ' ' VAL . 4.8 tt -114.28 123.12 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.745 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 45.2 m95 -85.77 122.84 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 123' ' ' TRP . 26.0 t -153.12 139.27 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.825 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -109.07 139.57 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.909 HD11 ' CG2' ' A' ' 94' ' ' ILE . 12.3 mt -114.61 133.86 55.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.74 108.83 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.46 ' HB2' HG13 ' A' ' 99' ' ' VAL . 32.4 t80 -90.74 154.98 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -139.71 90.98 10.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 142.2 27.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -172.8 134.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.4 -146.05 12.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.588 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 24.2 m -114.54 148.93 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.936 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -116.26 144.51 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.886 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -121.79 122.45 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.936 ' CG2' HD11 ' A' ' 12' ' ' LEU . 57.9 t -112.17 112.57 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.91 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.5 t -102.07 87.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.7 HD11 HG21 ' A' ' 35' ' ' VAL . 17.7 tp -69.95 91.96 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 18' ' ' SER . 72.1 t -70.68 -92.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.495 ' N ' HG12 ' A' ' 17' ' ' VAL . 5.6 p -148.66 -173.99 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -145.24 145.91 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG2' HG22 ' A' ' 55' ' ' THR . 6.5 mttt -133.49 144.19 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.29 -172.19 43.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 118' ' ' TYR . 2.4 mm? -69.35 -169.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -69.22 -47.79 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 5.7 t70 -126.02 57.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -127.76 107.93 10.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.53 78.32 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.851 ' CE2' HD11 ' A' ' 28' ' ' LEU . 18.4 t80 -120.08 112.1 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.851 HD11 ' CE2' ' A' ' 27' ' ' PHE . 7.4 mt 78.51 56.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.47 ' HB2' HG22 ' A' ' 54' ' ' THR . 40.6 t-20 -138.76 135.38 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 70.67 26.46 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 ptm -151.84 -175.35 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.595 ' HB3' HG23 ' A' ' 48' ' ' VAL . 18.4 m-20 -135.03 73.07 66.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -75.03 156.04 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.679 ' CD2' ' CD ' ' A' ' 45' ' ' LYS . 30.5 p90 -136.74 145.64 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 16' ' ' LEU . 38.1 t -91.21 142.43 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -126.96 106.78 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.786 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -80.83 144.38 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.928 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -133.87 141.24 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -142.49 87.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.784 ' C ' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER 31.88 97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.784 HG23 ' C ' ' A' ' 40' ' ' ARG . 1.4 p 75.09 -22.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' A' ' 40' ' ' ARG . 34.6 mt-30 -91.21 139.23 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.07 128.75 15.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.582 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 48.6 mt-30 -139.81 120.38 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.679 ' CD ' ' CD2' ' A' ' 34' ' ' TYR . 6.4 ttpp -120.08 156.87 30.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -110.84 166.48 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -49.51 178.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 32' ' ' ASP . 2.4 m -90.13 140.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -74.93 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 1.8 mm-40 -91.09 141.27 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.72 57.66 3.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.431 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 9.7 mmt -116.35 -32.85 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.45 -148.7 19.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 29' ' ' ASN . 1.4 p -81.42 6.86 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 20' ' ' LYS . 27.4 p -135.94 80.6 41.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.01 135.48 19.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 11.8 tt0 -118.07 173.18 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.557 ' C ' ' OD1' ' A' ' 59' ' ' ASN . 22.6 m-90 -156.48 -38.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.576 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 47.25 33.25 2.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 8.2 mm-40 -90.52 166.18 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -135.05 122.21 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.664 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.6 m-85 -116.4 147.44 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -118.27 142.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 37.0 m-85 -132.28 -172.31 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -128.53 123.89 34.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.7 t -106.63 147.85 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.3 p -157.53 -72.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -145.73 138.43 25.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.41 -54.13 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.7 m -60.79 100.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 p -131.74 6.96 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.6 153.13 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.928 HD12 ' O ' ' A' ' 38' ' ' THR . 5.7 tp -112.21 143.08 43.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -104.94 129.51 53.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 106.18 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 29.6 mttp -110.01 123.17 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.741 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.1 mp -85.07 139.45 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.093 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.5 m-85 -143.68 144.08 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -76.18 136.29 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 32' ' ' ASP . 4.7 ptmt -41.44 -34.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 2.1 t0 -90.27 45.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 85.6 t -157.52 152.43 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -102.16 138.41 13.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 10.2 p -36.9 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' GLY . 39.3 mt-10 -109.66 61.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.6 t0 -141.73 -72.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.08 118.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.093 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -91.35 115.32 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.741 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -43.78 -27.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.84 173.77 46.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -148.75 166.89 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.721 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.97 140.56 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -96.46 115.98 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.054 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.5 mt -109.29 99.67 37.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.621 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 11.6 mt -97.31 7.63 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.686 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.1 tt0 -65.1 -39.5 37.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 96' ' ' LEU . 1.3 p -79.66 -8.63 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 16.5 m-30 -96.05 -30.08 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.2 m -93.36 -33.44 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.2 mm-40 -86.57 -33.63 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.91 -8.4 76.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.1 p -175.96 131.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 3.9 mm -125.62 140.13 35.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 173.27 14.79 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 102.83 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.01 151.7 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.885 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.26 110.2 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 112' ' ' VAL . 70.5 m-85 -87.2 136.69 32.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.12 120.24 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 92' ' ' ALA . 27.5 t -107.59 110.36 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.46 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.04 169.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 5.6 tptp -143.55 89.18 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.2 t70 86.61 -22.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.13 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.46 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -88.42 138.33 31.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.669 ' CE2' HD11 ' A' ' 22' ' ' LEU . 53.0 t80 -77.27 113.07 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.515 ' HB2' HG12 ' A' ' 112' ' ' VAL . 5.3 mmpt? -83.58 -30.65 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.565 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 161.06 -137.62 5.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.885 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.1 pt-20 -138.95 148.56 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.564 ' HB ' HG21 ' A' ' 112' ' ' VAL . 7.9 tt -118.77 123.7 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.654 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 42.7 m95 -86.34 123.32 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.439 HG23 ' C ' ' A' ' 123' ' ' TRP . 30.1 t -153.33 134.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.91 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -101.7 143.4 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.054 HD11 ' CG2' ' A' ' 94' ' ' ILE . 51.5 mt -120.2 135.56 54.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.72 103.47 4.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.496 ' HB2' HG13 ' A' ' 99' ' ' VAL . 32.6 t80 -86.37 153.4 21.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -138.69 90.4 12.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.13 38.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.03 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -168.39 141.1 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.05 -164.04 28.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.407 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -102.32 155.76 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.368 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.968 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -114.19 139.78 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.603 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -126.31 109.46 12.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.994 HG21 HD22 ' A' ' 73' ' ' LEU . 30.1 t -98.28 141.23 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 77.4 t -128.84 92.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ASN . 53.1 tp -67.25 94.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.687 HG21 ' HB3' ' A' ' 107' ' ' PRO . 93.7 t -74.33 -86.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.452 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 2.0 p -144.51 -178.06 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.575 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -150.4 118.27 6.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.86 ' HG3' HG22 ' A' ' 55' ' ' THR . 1.3 mttt -97.64 144.01 27.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.82 -153.5 24.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.888 HD11 ' CD2' ' A' ' 118' ' ' TYR . 95.7 mt -119.53 -173.96 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -17.4 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 12.0 t70 -124.76 50.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . . . -166.18 99.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -54.2 90.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ALA . 21.8 t80 -143.73 121.58 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' CG ' ' A' ' 33' ' ' PRO . 14.3 mt 64.26 53.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 31' ' ' MET . 29.2 t-20 -124.89 119.62 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 44.06 66.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.529 ' CE ' ' OD1' ' A' ' 79' ' ' ASP . 10.4 ptm -162.3 -174.62 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.71 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.5 m-20 -127.65 71.16 77.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.603 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 137.92 22.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 42.8 p90 -130.7 138.36 49.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG22 HG13 ' A' ' 77' ' ' ILE . 95.3 t -91.3 151.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 35.4 tt0 -131.32 99.28 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.876 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -65.91 135.43 54.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.73 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.1 m -128.04 135.89 50.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.617 ' SG ' HG21 ' A' ' 70' ' ' THR . 49.0 t -141.06 97.52 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.39 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' CYS . 11.6 p -134.92 9.29 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -100.43 114.39 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 132.46 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -147.48 123.14 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 12.5 mtpt -94.97 163.22 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -112.34 168.21 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.11 151.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.71 HG13 ' HB3' ' A' ' 32' ' ' ASP . 5.0 t -81.46 115.45 24.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -65.87 84.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG3' HG12 ' A' ' 48' ' ' VAL . 29.8 mt-10 -73.37 122.38 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.18 75.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.474 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 8.8 mmt -115.1 -32.05 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.04 -143.3 15.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 28' ' ' LEU . 69.7 p -99.13 18.08 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.86 HG22 ' HG3' ' A' ' 20' ' ' LYS . 2.4 p -150.02 65.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.02 144.85 30.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.452 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 51.8 mp0 -119.66 140.7 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.438 ' CE3' ' HG ' ' A' ' 16' ' ' LEU . 24.2 m-90 -120.95 -43.62 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 51.31 27.38 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 20.3 mm-40 -85.31 174.28 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.0 m -137.85 134.37 35.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.876 ' CD2' HD23 ' A' ' 37' ' ' LEU . 67.5 m-85 -133.56 130.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.2 mm -101.66 146.58 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 39' ' ' CYS . 65.1 m-85 -148.39 122.23 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -63.29 137.75 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.2 t -121.85 158.83 25.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -161.17 -55.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -169.55 157.31 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.4 -53.25 4.45 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.617 HG21 ' SG ' ' A' ' 39' ' ' CYS . 1.3 m -77.72 110.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.2 p -137.57 10.37 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 4.4 pt-20 -154.4 137.09 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.994 HD22 HG21 ' A' ' 14' ' ' VAL . 7.3 tp -95.23 143.01 26.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 118.98 37.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.37 100.29 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.0 mttp -99.66 120.39 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.98 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -88.25 134.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.19 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 97.6 m-85 -133.61 -153.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 82' ' ' VAL . 4.1 m-20 -150.1 129.81 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HD2' HG11 ' A' ' 48' ' ' VAL . 1.6 pttt -46.31 -23.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 76.3 m-20 -78.05 -43.36 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.764 HG23 ' N ' ' A' ' 83' ' ' GLY . 3.8 m -79.19 -142.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.764 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -165.02 153.62 23.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 61.4 p -39.03 -65.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 86' ' ' ASP . 12.5 pt-20 -66.89 -53.77 28.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' A' ' 85' ' ' GLU . 2.5 m-20 -24.32 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -172.45 139.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.19 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -103.78 128.66 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.98 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -51.74 -22.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.24 -177.46 44.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -152.7 170.11 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.796 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.78 154.78 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.5 m -110.77 111.73 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.6 HG22 HD11 ' A' ' 126' ' ' LEU . 3.6 mt -108.79 100.27 38.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -74.96 134.89 18.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.633 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -97.56 15.18 24.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.791 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 0.8 OUTLIER -74.23 -32.92 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 -25.53 11.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.911 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.5 -25.83 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 8.0 m-30 -66.49 -32.98 74.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.3 m -94.99 -51.31 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.525 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.5 mm-40 -66.4 -43.89 84.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.77 -11.38 66.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 p -167.22 129.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.911 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.5 mm -129.22 140.28 38.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.687 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 109.1 2.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.545 1.813 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.06 143.88 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.859 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -70.92 100.98 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.522 ' CD2' HG12 ' A' ' 94' ' ' ILE . 51.4 m-85 -85.88 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.42 128.65 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.5 t -112.23 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.546 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -109.48 166.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.96 96.09 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 21.6 t0 85.21 -27.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 157.69 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.546 ' C ' HG12 ' A' ' 113' ' ' VAL . 2.6 mm-40 -87.36 152.55 22.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.888 ' CD2' HD11 ' A' ' 22' ' ' LEU . 81.8 t80 -90.06 119.24 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -90.84 -46.59 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -178.53 -135.8 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.437 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 8.3 pt-20 -141.15 156.71 45.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.575 HG13 ' HB2' ' A' ' 19' ' ' ALA . 14.6 tt -128.19 121.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.859 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 35.3 m95 -85.9 116.59 24.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.03 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.9 t -142.35 143.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.488 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -124.82 136.31 53.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.799 HD23 HG22 ' A' ' 14' ' ' VAL . 1.7 mt -109.69 159.32 17.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.98 73.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 46.1 t80 -50.31 149.56 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.72 92.17 27.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.496 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.5 OUTLIER 175.21 150.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' CD2' ' A' ' 9' ' ' HIS . . . 146.2 -153.19 25.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.43 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.5 m -100.9 156.25 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 96' ' ' LEU . 3.1 tp -127.8 136.84 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -113.76 107.47 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.63 HG11 HD22 ' A' ' 37' ' ' LEU . 79.9 t -96.71 117.0 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.43 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD21 ' HB ' ' A' ' 35' ' ' VAL . 56.7 tp -69.21 86.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.66 HG21 ' CB ' ' A' ' 107' ' ' PRO . 68.0 t -60.83 -90.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' HG12 ' A' ' 17' ' ' VAL . 80.5 p -156.17 -176.41 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -149.37 157.68 43.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.794 ' CB ' HG22 ' A' ' 55' ' ' THR . 1.0 OUTLIER -150.85 148.63 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.47 -169.13 35.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.782 HD11 ' HE2' ' A' ' 118' ' ' TYR . 1.6 mm? -83.85 -164.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.4 pt-20 -72.82 -52.5 14.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 40.2 t0 -111.47 61.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.39 106.17 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.72 62.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.64 ' CD1' HD13 ' A' ' 28' ' ' LEU . 28.5 t80 -121.63 128.78 52.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.64 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER 65.83 18.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -59.96 -146.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.43 74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' ASN . 8.9 ptm -154.92 -178.23 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.9 m-20 -131.35 67.33 80.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.98 154.96 42.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 38.2 p90 -133.08 147.42 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.915 HG22 HG13 ' A' ' 77' ' ' ILE . 34.5 t -92.3 147.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 31.2 tt0 -127.57 96.42 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.942 HD22 HD21 ' A' ' 73' ' ' LEU . 15.8 mt -63.15 154.05 32.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 42' ' ' GLN . 2.4 m -155.69 123.18 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -142.57 85.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 108.319 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.0 OUTLIER 55.86 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.1 t 33.42 40.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 38' ' ' THR . 11.6 mt-30 -135.74 144.76 46.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 2.0 p30 -149.53 126.34 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' LEU . 74.1 mt-30 -143.03 122.07 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 15.4 mtmm -104.11 158.14 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.35 169.24 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -48.61 147.55 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 24.0 t -71.65 122.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -63.73 78.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' VAL . 28.2 mt-10 -73.81 121.67 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.7 69.05 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -109.55 -32.33 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.036 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 104.52 -169.33 17.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 0.735 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.794 HG22 ' CB ' ' A' ' 20' ' ' LYS . 3.0 p -127.99 72.72 79.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.467 ' HD2' HD23 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 129.3 12.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.75 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 3.4 tt0 -111.07 139.49 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.77 -42.76 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 32.7 m-20 47.1 32.69 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -171.85 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -149.95 127.47 11.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.764 ' CD2' HD11 ' A' ' 37' ' ' LEU . 80.6 m-85 -130.95 129.16 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.503 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.5 mm -98.36 140.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' HB2' HD23 ' A' ' 12' ' ' LEU . 40.5 m-85 -135.46 124.79 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -67.07 119.53 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 16.5 t -106.7 147.25 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -178.47 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -168.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.891 ' O ' HG23 ' A' ' 71' ' ' THR . . . -58.71 -15.63 27.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 m -38.99 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 69' ' ' GLY . 11.9 p -125.86 27.1 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.7 OUTLIER -168.35 153.66 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.942 HD21 HD22 ' A' ' 37' ' ' LEU . 27.7 tp -114.16 146.59 40.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 113.1 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.01 105.96 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 14.6 mttp -108.51 136.63 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.915 HG13 HG22 ' A' ' 35' ' ' VAL . 5.2 mp -104.11 133.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.923 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 77.4 m-85 -132.69 -171.53 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' VAL . 5.4 t70 -116.17 132.08 56.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.27 -36.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 82' ' ' VAL . 1.6 t0 -92.24 45.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 81' ' ' ASP . 68.9 t -157.68 153.26 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -99.5 135.99 12.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.44 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 15.8 p -38.07 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.392 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 55.1 mt-10 -106.82 56.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 20.8 t0 -136.8 -67.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -174.41 114.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.923 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -85.43 135.68 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.892 ' CG2' HG22 ' A' ' 77' ' ' ILE . 2.0 m -60.47 -38.92 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.406 ' HA2' ' CE ' ' A' ' 114' ' ' LYS . . . -163.73 169.25 38.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.86 161.0 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.256 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.38 155.24 39.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 m -112.29 111.65 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.018 HG22 HD11 ' A' ' 126' ' ' LEU . 2.6 mp -105.99 104.06 47.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -74.95 137.48 21.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 4.8 mt -96.81 14.91 23.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.797 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -73.38 -32.56 1.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -27.43 10.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.896 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.48 -25.21 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.693 ' HE2' HG22 ' A' ' 71' ' ' THR . 6.3 m-30 -67.51 -22.69 65.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.8 m -106.77 -45.44 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.9 mm-40 -75.78 -36.3 59.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 86.33 -9.35 70.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.2 p -164.86 126.45 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.896 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.7 mm -130.17 140.95 40.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.66 ' CB ' HG21 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.04 112.36 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.76 144.5 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.752 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -71.16 96.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 94' ' ' ILE . 50.2 m-85 -79.01 138.99 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.33 121.8 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.707 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.3 t -108.71 111.75 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.28 173.48 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 14.7 tppt? -154.03 91.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.606 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.6 t0 90.4 -27.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER 157.33 -21.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.78 151.01 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.782 ' HE2' HD11 ' A' ' 22' ' ' LEU . 63.9 t80 -86.64 106.98 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB2' HG12 ' A' ' 112' ' ' VAL . 4.7 mmpt? -74.7 -43.12 56.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.4 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 170.96 -141.75 6.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.752 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.7 pt-20 -131.98 153.01 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 19' ' ' ALA . 7.7 tt -129.19 124.64 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.498 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 34.9 m95 -86.26 126.44 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 6.2 t -151.81 132.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.526 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -116.91 133.7 55.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.018 HD11 HG22 ' A' ' 94' ' ' ILE . 5.5 mt -107.3 152.95 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -142.39 63.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 65.6 t80 -55.72 138.02 48.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -126.49 96.4 36.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 143.25 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.97 -166.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -173.34 128.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.74 -156.52 27.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 3.4 m -105.74 153.51 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.921 HD11 HG23 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -114.03 144.59 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.777 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.7 tt0 -126.82 107.19 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.974 HG21 HD22 ' A' ' 73' ' ' LEU . 20.5 t -97.33 123.77 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.86 89.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.729 HD11 HG21 ' A' ' 35' ' ' VAL . 30.0 tp -65.96 92.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.642 HG21 ' HB3' ' A' ' 107' ' ' PRO . 25.0 t -67.76 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.588 ' N ' HG12 ' A' ' 17' ' ' VAL . 91.3 p -152.12 -173.23 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 148.06 28.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -135.41 152.72 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.74 -175.53 23.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? -73.03 -165.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -41.03 13.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -128.99 58.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -133.08 112.2 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.11 85.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.784 ' CE1' HD13 ' A' ' 28' ' ' LEU . 23.3 t80 -150.6 126.34 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.784 HD13 ' CE1' ' A' ' 27' ' ' PHE . 1.8 mp 67.58 19.95 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' MET . 3.0 t-20 -59.58 -146.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -61.13 82.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' ASN . 3.4 ptm -162.73 177.96 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 41.7 m-20 -130.22 69.12 81.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -75.0 150.68 38.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 27.6 p90 -126.17 150.71 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 16' ' ' LEU . 60.7 t -90.64 146.61 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 30.9 tt0 -122.81 95.93 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.888 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.85 131.1 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.621 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.3 m -134.06 135.09 43.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -142.43 107.25 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.308 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.54 -84.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.52 13.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 39' ' ' CYS . 3.1 pt20 -108.12 117.2 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 3.1 p-10 -103.47 151.52 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 37' ' ' LEU . 70.5 mt-30 -158.33 123.05 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' CD ' ' CE1' ' A' ' 34' ' ' TYR . 22.2 mtmt -104.73 160.79 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.72 170.51 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -48.58 156.41 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.6 t -81.91 123.11 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -62.68 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' VAL . 22.7 mt-10 -74.42 129.52 37.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.53 72.59 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.513 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 6.7 mmt -116.76 -31.18 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 94.44 -146.38 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -84.63 15.15 3.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.415 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.578 HG22 ' CG ' ' A' ' 20' ' ' LYS . 3.0 p -144.02 78.76 13.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 141.35 26.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 41.8 mp0 -120.91 172.47 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 23.4 m-90 -158.17 -46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 47.44 28.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.79 -178.24 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.5 m -143.59 127.23 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.724 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 87.8 m-85 -126.67 135.02 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.5 mm -105.16 145.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' HB2' HD12 ' A' ' 12' ' ' LEU . 82.3 m-85 -146.57 126.15 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -61.93 139.09 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.609 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 6.9 t -127.58 137.0 58.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -140.59 -60.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.045 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -165.34 151.7 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.1 -58.12 4.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -66.14 108.62 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 p -135.96 19.9 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.7 pt-20 -164.74 145.88 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.974 HD22 HG21 ' A' ' 14' ' ' VAL . 6.4 tp -108.36 141.59 39.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -103.78 118.17 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.47 104.84 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.612 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 37.0 mttp -102.95 124.09 47.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.943 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -84.65 131.22 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.088 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 81.2 m-85 -137.51 150.99 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.819 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -73.14 159.58 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.71 -7.54 34.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -124.02 60.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.3 p -161.83 168.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.549 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -117.67 137.28 13.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLY . 19.7 p -36.31 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' GLY . 51.9 mt-10 -107.76 65.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 60.7 t0 -147.85 -68.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.95 120.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.088 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -95.65 116.98 29.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.943 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -39.38 -30.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.07 172.14 45.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -147.53 164.3 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.853 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.26 155.75 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 26.3 m -108.63 114.5 28.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.759 HG22 HD11 ' A' ' 126' ' ' LEU . 2.9 mt -108.73 100.26 38.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.03 133.82 17.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.658 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 1.3 mt -98.7 13.63 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.815 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -76.31 -31.17 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.03 -27.58 9.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.841 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -84.98 -40.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 128' ' ' PHE . 14.8 m-30 -60.61 -22.95 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.2 t -92.41 -59.2 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.67 -53.5 27.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.8 -16.76 13.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -165.37 117.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.841 ' CG1' HG13 ' A' ' 99' ' ' VAL . 5.0 mm -114.76 140.85 25.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.07 173.76 13.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.645 ' N ' ' HB2' ' A' ' 125' ' ' ALA . 18.1 Cg_endo -75.0 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.56 143.45 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.853 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -74.6 95.51 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CD2' HG12 ' A' ' 94' ' ' ILE . 56.5 m-85 -76.52 133.39 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -47.4 118.71 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 92' ' ' ALA . 22.5 t -106.37 111.9 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.452 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.83 169.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 36.7 tptt -142.22 88.93 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 8.7 t0 86.78 -22.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.43 -20.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.452 ' C ' HG12 ' A' ' 113' ' ' VAL . 4.8 mt-10 -88.71 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 52.4 t80 -74.72 113.03 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HB2' HG12 ' A' ' 112' ' ' VAL . 7.8 mmpt? -84.84 -32.74 23.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 164.07 -131.66 2.5 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.853 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 2.0 pm0 -148.73 152.79 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 92' ' ' ALA . 4.7 tt -121.79 130.72 74.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.616 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 40.9 m95 -92.45 114.89 27.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.2 t -143.47 130.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.645 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -111.47 133.98 53.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.759 HD11 HG22 ' A' ' 94' ' ' ILE . 4.7 mt -106.1 155.6 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.17 79.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 32.9 t80 -55.95 156.32 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -139.99 90.57 10.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 130.97 13.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -165.4 136.34 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.93 -125.51 1.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.505 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 96.8 m -136.05 144.32 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.028 HD11 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -107.74 143.08 36.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.879 ' N ' HD22 ' A' ' 12' ' ' LEU . 2.6 tt0 -125.8 110.24 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.028 HG23 HD11 ' A' ' 12' ' ' LEU . 36.3 t -102.45 118.2 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.737 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 58.9 t -105.87 91.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 11.7 tp -71.89 93.43 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 107' ' ' PRO . 59.9 t -72.35 -81.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -151.11 -157.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -158.01 124.29 4.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.766 ' HG3' HG22 ' A' ' 55' ' ' THR . 1.4 mtpt -95.91 156.92 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.49 -140.43 7.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -163.13 -163.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.43 -26.63 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.509 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t0 -99.87 45.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.992 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . 178.38 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.18 103.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 28' ' ' LEU . 33.0 t80 -150.77 133.54 15.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 61.36 78.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.2 122.78 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 t30 49.83 62.07 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.3 ptm -166.07 175.08 8.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 49.0 m-20 -128.48 69.09 78.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.5 Cg_endo -74.94 165.22 31.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 36.9 p90 -147.85 146.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 77.6 t -91.25 136.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 45' ' ' LYS . 2.2 tt0 -125.2 101.92 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -70.01 139.1 52.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.3 m -133.5 128.29 35.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.9 90.24 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 62.79 -90.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -112.78 -2.27 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -94.71 122.48 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -126.75 133.75 50.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 54.6 mt-30 -155.83 122.69 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -124.45 168.84 12.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.55 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -55.29 179.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 2.8 m -91.86 140.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.847 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -75.67 86.66 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 18.1 mt-10 -65.58 120.73 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.78 76.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.847 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 10.4 mmt -116.22 -32.51 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.37 -144.6 16.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 28' ' ' LEU . 6.7 p -93.08 23.27 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.766 HG22 ' HG3' ' A' ' 20' ' ' LYS . 1.1 p -153.42 69.03 6.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.473 ' CD ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 126.21 9.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.15 146.58 36.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -128.38 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 61.56 41.76 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.79 178.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -142.72 124.03 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 37' ' ' LEU . 82.5 m-85 -124.13 133.08 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.505 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 3.8 mm -104.53 145.53 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.671 ' HB2' HD12 ' A' ' 12' ' ' LEU . 60.2 m-85 -143.29 122.76 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -61.72 126.38 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 17.0 t -110.12 147.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -161.7 -67.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -147.26 144.12 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.83 -52.13 4.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.502 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 4.5 m -57.81 100.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -136.59 15.18 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -173.44 146.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.0 HD22 HG21 ' A' ' 14' ' ' VAL . 10.3 tp -107.11 143.51 35.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -104.91 119.87 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.51 104.19 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mttp -103.04 137.63 40.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.951 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -107.27 140.21 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.001 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 70.4 m-85 -141.07 -166.62 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 3.0 t70 -119.03 138.12 53.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 5.3 ptmt -40.99 -42.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' C ' HG23 ' A' ' 82' ' ' VAL . 14.8 t0 -88.42 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.492 HG23 ' C ' ' A' ' 81' ' ' ASP . 97.6 t -157.09 150.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -101.34 138.22 13.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' GLY . 12.8 p -36.62 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' GLY . 2.2 pt-20 -107.07 60.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 64.6 t0 -142.77 -68.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -165.84 113.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 1.001 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -91.12 111.74 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.951 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -39.57 -29.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.91 -175.12 45.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' VAL . 12.7 pm0 -160.01 166.41 30.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.718 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.26 148.36 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.4 m -103.8 114.45 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.885 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -108.58 100.44 38.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.58 20.54 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.559 1.82 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.624 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 5.0 mt -99.16 11.91 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.737 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -72.32 -36.19 3.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.58 7.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.603 HG23 HG12 ' A' ' 105' ' ' ILE . 2.0 p -79.09 -29.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 17.8 m-30 -76.94 -20.26 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 t -95.77 -43.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.77 -34.15 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 92.46 -13.0 68.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.476 ' O ' HD13 ' A' ' 105' ' ' ILE . 35.5 p -159.89 137.88 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.603 HG12 HG23 ' A' ' 99' ' ' VAL . 22.2 mm -137.17 131.32 17.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.22 13.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.03 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -110.54 152.96 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.624 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -83.36 100.53 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 57.6 m-85 -82.52 132.74 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -52.62 122.12 8.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.718 HG22 ' HB2' ' A' ' 92' ' ' ALA . 44.8 t -106.04 116.26 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -118.54 170.85 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 21.8 tptt -139.51 89.98 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.71 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 11.2 m-20 80.99 -19.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.554 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.63 -21.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 114' ' ' LYS . 5.3 mt-10 -88.69 138.96 30.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.609 ' CE2' HD13 ' A' ' 22' ' ' LEU . 46.7 t80 -80.0 117.69 21.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.15 -34.48 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.571 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 168.59 -134.9 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' LYS . 12.5 pt-20 -142.67 152.61 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.573 HG13 ' HB2' ' A' ' 19' ' ' ALA . 16.0 tt -123.96 137.05 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.624 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.6 m95 -102.79 124.11 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.45 HG23 ' C ' ' A' ' 123' ' ' TRP . 42.1 t -153.52 134.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.737 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -104.38 146.86 28.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.885 HD11 ' CG2' ' A' ' 94' ' ' ILE . 3.3 mt -124.46 136.34 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.4 m -143.08 98.37 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' A' ' 100' ' ' PHE . 31.3 t80 -74.35 156.81 36.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -140.49 90.36 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.12 28.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -149.17 134.64 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -102.73 169.71 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.36 -65.21 0.21 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 p -40.79 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -98.93 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.14 177.1 17.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.0 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -171.79 125.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.34 -147.96 12.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.597 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 35.8 m -101.48 149.08 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.953 HD11 HD22 ' A' ' 96' ' ' LEU . 2.0 tp -123.94 148.37 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' CD1' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.33 147.72 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.703 HG11 ' HG ' ' A' ' 37' ' ' LEU . 47.3 t -141.9 100.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.837 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 38.5 t -94.69 105.59 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.802 HD11 HG21 ' A' ' 35' ' ' VAL . 24.2 tp -84.84 91.39 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' CB ' ' A' ' 107' ' ' PRO . 56.7 t -67.93 -87.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 28.1 p -153.91 -174.33 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -147.39 124.17 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.2 mttt -109.41 151.3 26.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.09 179.37 22.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.553 HD11 ' HE2' ' A' ' 118' ' ' TYR . 3.0 mm? -70.32 -169.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -39.71 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -117.78 61.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.01 120.98 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -82.88 51.99 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 14.6 t80 -96.67 120.87 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 4.7 mt 63.62 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -127.68 124.74 38.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 55.87 58.55 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 8.9 ptm -165.86 -177.04 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.715 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.9 m-20 -130.76 67.96 81.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -74.98 150.36 38.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 45.3 p90 -135.57 150.8 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.802 HG21 HD11 ' A' ' 16' ' ' LEU . 88.2 t -92.88 148.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -135.05 109.1 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -80.32 165.72 22.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 37' ' ' LEU . 1.3 m -155.58 119.98 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -142.39 98.58 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 60.97 88.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ARG . 27.3 p 34.04 33.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -139.83 112.18 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.82 166.71 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 69.5 mt-30 -157.76 121.88 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 158.66 20.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.16 175.75 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.064 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -48.51 158.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.715 HG13 ' HB3' ' A' ' 32' ' ' ASP . 4.4 t -90.42 113.14 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -61.35 84.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HG3' HG12 ' A' ' 48' ' ' VAL . 23.1 mt-10 -74.87 117.51 16.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 34.92 68.31 0.24 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.2 -30.8 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.021 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 109.33 -157.43 15.12 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.107 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 p -79.42 4.33 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 0.731 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 20' ' ' LYS . 11.6 p -136.06 67.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -74.99 122.37 7.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 6.4 mt-10 -96.38 179.63 4.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 21.2 m-90 -157.13 -45.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 52.5 35.81 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -93.13 -178.33 4.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -153.36 127.39 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.8 m-85 -122.69 124.73 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.597 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 23.3 mm -99.53 132.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 67.8 m-85 -125.15 162.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -108.68 105.69 15.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 21.4 t -81.58 147.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.42 ' HB2' ' NH2' ' A' ' 40' ' ' ARG . 1.1 m -165.94 67.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.49 161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.84 -55.66 4.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 119.99 23.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.8 p -135.6 13.01 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.3 pt-20 -160.88 149.57 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 37' ' ' LEU . 5.5 tp -106.99 142.58 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -107.53 129.12 55.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.19 113.23 16.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 19.6 mttp -114.52 139.04 49.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.817 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -110.97 145.41 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.031 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 30.3 m-85 -145.83 -147.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 82' ' ' VAL . 3.8 t0 -136.23 128.0 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HD2' HG11 ' A' ' 48' ' ' VAL . 3.0 ptmt -40.09 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -72.19 -54.0 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 79' ' ' ASP . 1.0 OUTLIER -70.08 -162.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.712 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -141.97 151.4 22.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.435 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 66.6 p -39.8 -37.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.44 77.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.67 -68.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.48 113.19 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.031 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -95.6 114.32 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.817 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -43.51 -27.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.66 -176.37 47.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -155.32 171.22 20.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.671 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -152.55 151.91 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.2 m -110.94 112.45 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.11 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -108.37 101.23 41.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.0 142.62 28.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 12' ' ' LEU . 10.6 mt -100.7 9.47 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -67.85 -38.22 13.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.95 -30.16 7.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.622 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -80.37 -29.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.726 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 6.1 m-85 -76.94 -19.36 57.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.0 t -96.82 -43.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.7 -41.93 17.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 97.56 -9.18 64.43 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -165.11 124.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.622 HG12 HG23 ' A' ' 99' ' ' VAL . 48.7 mm -121.66 134.77 24.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.06 173.01 15.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.43 ' CB ' HG21 ' A' ' 17' ' ' VAL . 18.2 Cg_endo -75.01 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.46 148.01 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.45 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.813 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -77.97 103.04 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.44 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.9 m-85 -84.71 132.65 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.92 123.99 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 92' ' ' ALA . 40.7 t -107.13 112.19 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.8 168.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.1 90.86 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.6 t0 83.48 -22.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.33 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.1 mt-10 -84.55 137.25 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 120' ' ' GLY . 35.2 t80 -78.22 108.34 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.576 ' HB2' HG12 ' A' ' 112' ' ' VAL . 10.2 mmpt? -77.31 -44.04 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.582 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 171.12 -123.96 1.08 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.602 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 6.0 pt-20 -149.95 146.72 27.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.58 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.3 tt -118.79 121.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.813 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.5 m95 -83.86 122.36 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 12.8 t -151.46 148.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.837 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -117.96 149.9 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.11 HD11 ' CG2' ' A' ' 94' ' ' ILE . 4.7 mt -128.71 147.36 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 13' ' ' GLU . 59.4 m -151.79 113.99 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 8' ' ' PRO . 19.5 t80 -90.46 145.11 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -135.83 90.78 18.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.4 19.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 t -59.65 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.08 -148.05 0.37 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 105.31 2.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 -56.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.6 t -82.38 98.27 8.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -115.33 150.49 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.59 160.14 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.25 -144.02 9.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.48 -60.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 158.69 34.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.74 -171.16 42.71 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -74.98 142.56 28.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.697 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.6 p-80 -167.42 118.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 170.57 -131.02 2.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.557 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 61.8 m -111.84 137.18 50.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 96' ' ' LEU . 1.2 tp -117.62 137.73 52.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -108.2 137.2 46.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 37' ' ' LEU . 53.0 t -131.28 108.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 18.9 t -102.84 99.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 35' ' ' VAL . 21.7 tp -79.05 84.51 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 18' ' ' SER . 78.6 t -60.38 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 14.7 p -146.26 -177.78 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.744 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -157.74 118.17 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.798 ' CB ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -109.61 148.93 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.6 -147.14 19.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.786 HD11 ' CD2' ' A' ' 118' ' ' TYR . 65.1 mt -121.87 -171.27 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -105.03 -17.59 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -120.19 48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.85 111.12 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.02 88.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.658 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 11.6 t80 -142.03 111.88 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.918 ' O ' HG22 ' A' ' 54' ' ' THR . 5.4 mt 75.83 71.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -138.8 120.35 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 46.25 67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.8 ptm -163.84 175.67 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 64.7 m-20 -129.78 69.29 81.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.3 Cg_endo -74.94 156.35 43.24 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 19.1 p90 -132.05 148.94 52.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 16' ' ' LEU . 78.2 t -90.51 140.23 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 45' ' ' LYS . 19.0 tt0 -118.15 94.78 4.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.957 HD22 HD21 ' A' ' 73' ' ' LEU . 48.9 mt -68.9 142.11 54.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.814 ' O ' HD12 ' A' ' 73' ' ' LEU . 2.2 m -142.55 128.95 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -135.82 93.88 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.46 -84.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.4 p -125.47 2.2 7.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -98.49 121.77 40.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.79 135.65 55.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -150.5 125.37 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -104.39 166.68 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -110.82 165.78 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -47.95 159.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' GLU . 6.4 t -81.07 119.41 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -62.04 78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' VAL . 21.1 mt-10 -69.08 121.73 17.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.13 79.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.532 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 13.8 mmt -116.1 -32.0 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.03 -132.37 10.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -106.29 12.15 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 110.445 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.798 HG22 ' CB ' ' A' ' 20' ' ' LYS . 1.8 p -150.65 76.73 8.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.614 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -75.04 136.6 20.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 55.3 mp0 -112.14 132.56 54.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.455 ' C ' ' N ' ' A' ' 60' ' ' GLU . 25.1 m-90 -111.89 -37.05 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 108.027 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' TRP . 0.8 OUTLIER 39.31 30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' C ' ' A' ' 58' ' ' TRP . 20.6 mm-40 -84.72 -177.12 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -145.65 120.98 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 40.9 m-85 -124.67 127.17 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.9 mm -98.4 141.21 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 28.5 m-85 -134.97 128.28 32.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 m -70.13 124.33 23.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -113.52 133.92 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.516 ' HA ' ' CB ' ' A' ' 9' ' ' HIS . 2.3 t -144.33 -67.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' GLU . 5.0 pt-20 -144.22 118.45 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.15 -30.5 7.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.452 HG23 ' SG ' ' A' ' 39' ' ' CYS . 1.7 m -69.27 92.24 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.7 p -128.58 2.77 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -174.69 143.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.957 HD21 HD22 ' A' ' 37' ' ' LEU . 14.8 tp -103.33 146.25 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -112.34 113.79 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -109.88 117.45 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 17.0 mttt -116.07 140.64 49.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.788 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -106.79 125.03 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.199 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 96.3 m-85 -132.06 163.21 28.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.824 ' O ' HG12 ' A' ' 82' ' ' VAL . 5.2 t0 -83.67 156.22 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -62.28 -12.0 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -120.46 68.82 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.6 p -173.98 168.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -118.28 134.79 11.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' GLY . 66.9 p -35.25 -36.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLY . 31.0 mt-10 -97.52 57.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.495 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 15.6 t0 -142.2 -65.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 175.56 119.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.199 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -96.92 131.27 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.788 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -44.18 -27.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.89 179.05 47.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.0 171.62 18.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 0.761 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.651 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -152.85 139.21 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 15.6 m -95.22 112.37 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.122 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.7 mt -106.74 101.64 37.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.99 145.44 31.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 12' ' ' LEU . 8.2 mt -101.17 0.52 37.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.8 tt0 -58.34 -42.13 93.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.23 7.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -86.92 -0.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 8.4 m-30 -99.29 -31.91 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.6 m -95.31 -31.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.11 -33.28 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.47 71.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -172.4 134.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 106' ' ' PRO . 5.2 mm -131.08 140.41 38.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 170.86 19.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -75.0 104.02 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 m -114.61 148.0 38.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.79 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -79.67 101.34 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 89.1 m-85 -79.2 136.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.98 128.43 21.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 92' ' ' ALA . 41.5 t -111.6 113.36 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.32 172.64 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 30.5 tptt -150.13 90.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 13.2 t0 89.16 -27.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.5 OUTLIER 158.63 -21.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 113' ' ' VAL . 2.1 mm-40 -86.42 151.12 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.786 ' CD2' HD11 ' A' ' 22' ' ' LEU . 57.1 t80 -86.05 113.66 22.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HB2' HG12 ' A' ' 112' ' ' VAL . 1.1 mmpt? -81.92 -54.64 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.41 -136.44 2.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.758 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.9 pt-20 -138.84 152.66 48.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.744 HG13 ' HB2' ' A' ' 19' ' ' ALA . 6.8 tt -125.73 121.53 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.79 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 45.9 m95 -87.44 121.67 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 123' ' ' TRP . 22.2 t -152.9 145.95 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.652 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -111.92 149.87 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.122 HD11 ' CG2' ' A' ' 94' ' ' ILE . 20.0 mt -125.82 142.37 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.95 93.57 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.49 ' HB2' HG13 ' A' ' 99' ' ' VAL . 11.9 t80 -76.58 158.84 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.6 mttm -149.11 89.75 4.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.88 28.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 86.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -154.18 7.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 135.25 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 88.45 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -71.85 167.19 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.18 136.39 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.07 -160.4 10.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -175.61 141.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 110.049 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.26 161.4 33.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.21 -172.35 44.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 179.07 140.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.78 -116.29 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.49 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 36.8 m -140.04 150.85 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 126' ' ' LEU . 14.2 tp -117.52 149.35 40.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 3.7 tt0 -124.3 96.47 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG11 ' HG ' ' A' ' 37' ' ' LEU . 64.1 t -86.37 120.94 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.683 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 62.0 t -116.44 93.85 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.81 87.23 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 18' ' ' SER . 55.5 t -60.17 -87.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.466 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -146.47 -167.19 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -160.09 116.95 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.622 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -103.46 149.88 24.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.56 -141.74 8.72 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.799 HD21 ' HE2' ' A' ' 118' ' ' TYR . 76.9 mt -119.18 165.12 14.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.96 -19.49 37.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -126.44 46.02 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -163.57 129.94 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.0 90.63 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE1' ' HG ' ' A' ' 28' ' ' LEU . 7.6 t80 -131.55 126.25 34.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.583 HD21 HG21 ' A' ' 77' ' ' ILE . 15.1 mt 69.12 32.07 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' MET . 6.7 t30 -60.41 -148.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' H ' ' ND2' ' A' ' 29' ' ' ASN . 91.3 m-20 -65.88 73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -146.72 179.66 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 11.8 m-20 -119.7 77.79 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.543 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 166.22 29.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 14.4 p90 -162.35 130.97 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.903 HG22 HG13 ' A' ' 77' ' ' ILE . 76.1 t -92.9 154.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.896 ' CD ' HG21 ' A' ' 84' ' ' THR . 16.2 tt0 -124.08 95.41 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -65.14 121.27 14.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.865 ' O ' HD12 ' A' ' 73' ' ' LEU . 88.1 m -124.19 138.67 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.26 98.11 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 108.317 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 -88.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.0 p -120.03 1.62 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.462 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -97.72 114.92 27.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.61 119.13 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.549 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -134.77 123.68 23.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 23.7 mtmt -104.42 166.52 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -112.1 159.23 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -48.62 149.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 13.7 t -74.71 116.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -64.61 86.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' GLY . 28.7 mt-10 -77.43 131.17 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.69 73.96 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.553 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.51 -32.38 5.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.43 -150.98 18.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 55' ' ' THR . 1.4 p -89.85 26.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.763 HG23 ' O ' ' A' ' 54' ' ' THR . 1.2 p -161.66 70.17 2.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.2 Cg_endo -75.04 141.49 26.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -119.76 139.93 51.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -119.52 -43.11 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 44.81 34.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.7 172.03 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -134.74 125.41 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CD2' HD23 ' A' ' 37' ' ' LEU . 52.0 m-85 -126.12 126.48 44.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.4 mm -97.83 143.64 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 26.5 m-85 -137.22 139.34 40.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -74.54 110.61 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 12' ' ' LEU . 38.9 t -96.36 148.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.61 -72.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -140.83 140.07 34.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.76 -46.63 2.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 m -63.75 84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 p -111.51 -16.14 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.16 163.13 40.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.865 HD12 ' O ' ' A' ' 38' ' ' THR . 16.0 tp -117.32 145.62 43.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -109.52 122.59 47.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.91 102.53 8.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 38.5 mttp -103.63 138.52 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.908 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.9 mp -101.81 119.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.215 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 90.6 m-85 -125.78 168.5 13.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.779 ' HB3' HG13 ' A' ' 82' ' ' VAL . 59.9 t0 -93.75 135.46 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 13.0 ptmt -49.9 -20.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' N ' ' C ' ' A' ' 79' ' ' ASP . 16.5 t0 -81.07 -34.09 32.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.779 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.3 m -94.69 -168.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.541 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -138.42 145.28 16.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.896 HG21 ' CD ' ' A' ' 36' ' ' GLN . 59.6 p -35.47 -34.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' GLY . 18.2 mt-10 -99.88 70.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.33 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.78 121.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.215 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -102.58 124.02 47.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.908 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -43.35 -27.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -175.28 -179.16 45.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -153.85 172.22 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 110.265 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.693 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -156.21 138.53 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 16.5 m -99.25 113.98 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.647 ' CG2' HD21 ' A' ' 126' ' ' LEU . 3.6 mt -106.69 102.5 42.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.0 137.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 99' ' ' VAL . 17.6 mt -97.62 10.51 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.707 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.2 tt0 -67.89 -38.57 14.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.05 -25.28 11.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -84.89 -7.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 15.4 m-30 -96.89 -31.12 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.8 m -93.31 -31.54 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.1 mm-40 -90.05 -32.3 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.21 -11.36 58.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 105' ' ' ILE . 87.6 p -166.32 129.65 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.576 HG12 HG23 ' A' ' 99' ' ' VAL . 47.1 mm -121.34 134.79 24.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.0 168.26 25.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.508 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.2 Cg_endo -74.99 102.12 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 152.45 34.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.766 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -80.19 107.94 13.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 73.3 m-85 -85.24 143.44 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.12 131.88 52.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 92' ' ' ALA . 44.7 t -112.85 114.72 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.827 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.85 170.56 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 31.3 tptt -142.29 89.38 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 1.2 t70 83.63 -21.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 160.23 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.827 ' O ' HG12 ' A' ' 113' ' ' VAL . 12.0 pt-20 -81.14 165.73 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.799 ' HE2' HD21 ' A' ' 22' ' ' LEU . 52.2 t80 -102.01 117.95 35.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.448 ' CE ' ' HG3' ' A' ' 117' ' ' GLU . 6.6 mmpt? -88.41 -55.81 3.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -167.88 -137.46 2.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.406 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.6 pt-20 -140.93 143.83 34.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.585 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.4 tt -118.49 123.24 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.766 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 29.7 m95 -83.8 119.16 24.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.565 HG12 HD11 ' A' ' 126' ' ' LEU . 10.5 t -136.73 156.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.983 ' C ' HD13 ' A' ' 126' ' ' LEU . . . -143.12 123.72 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.983 HD13 ' C ' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -115.76 137.11 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 3.4 m -135.79 94.58 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.541 ' H ' HG22 ' A' ' 99' ' ' VAL . 32.2 t80 -64.56 156.8 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -143.55 90.5 7.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.3 t -79.36 85.95 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -143.67 -141.8 3.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 80.57 2.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -164.56 138.61 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -169.86 124.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.59 120.88 11.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -147.11 84.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.45 -91.4 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 55.13 103.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.53 136.24 33.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.42 -173.73 20.99 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 178.92 119.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.3 -142.3 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 53.1 m -111.21 144.36 40.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.997 HD11 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -109.38 146.91 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.89 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -128.84 112.8 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.997 HG23 HD11 ' A' ' 12' ' ' LEU . 41.7 t -105.16 112.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.741 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 99.3 t -97.17 89.51 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.908 HD13 ' CB ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -65.76 104.42 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 18' ' ' SER . 40.0 t -85.41 -86.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.507 ' N ' HG12 ' A' ' 17' ' ' VAL . 48.6 p -156.37 -173.54 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -149.54 128.28 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.618 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -112.26 153.53 27.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.76 -179.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.717 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.6 mm? -77.71 164.58 25.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.61 -50.09 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -114.87 64.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -130.63 116.03 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.56 55.11 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 16.2 t80 -114.12 121.44 43.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD22 ' HG2' ' A' ' 33' ' ' PRO . 27.8 mt 72.58 24.83 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' MET . 2.3 t-20 -60.92 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.14 73.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.7 ptm -148.49 -173.2 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 12.2 m-20 -133.51 65.87 72.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HG2' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -74.94 160.45 40.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 35.4 p90 -141.46 147.8 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG23 ' CH2' ' A' ' 58' ' ' TRP . 97.5 t -92.39 148.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -137.97 95.7 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.914 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.69 126.3 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.773 HG23 ' HB3' ' A' ' 43' ' ' ASP . 8.7 m -119.97 139.21 52.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' HG21 ' A' ' 70' ' ' THR . 40.4 t -136.8 89.52 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.21 -88.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.0 p -114.41 -26.4 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.442 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.461 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 11.6 pt20 -91.51 124.74 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.773 ' HB3' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -134.02 173.58 11.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 67.9 mt-30 -157.16 140.37 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -104.91 158.41 16.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.95 172.32 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -53.21 165.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.0 t -93.04 120.12 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -64.67 83.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLY . 24.1 mt-10 -75.56 120.33 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.3 73.76 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 5.6 mmt -115.45 -31.99 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 108.91 -162.06 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 p -80.03 3.48 20.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.618 HG22 ' CG ' ' A' ' 20' ' ' LYS . 10.7 p -134.95 64.02 60.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 55' ' ' THR . 18.3 Cg_endo -74.97 126.52 10.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 1.5 mt-10 -109.22 123.37 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.908 ' CB ' HD13 ' A' ' 16' ' ' LEU . 27.5 m-90 -93.44 -44.29 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 107.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 54.17 39.7 30.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . 7.9 mm-40 -94.84 171.73 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 119.65 16.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.914 ' CD1' HD23 ' A' ' 37' ' ' LEU . 55.8 m-85 -118.52 146.99 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.504 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.2 mm -118.36 142.86 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' HB2' HD12 ' A' ' 12' ' ' LEU . 40.5 m-85 -143.28 135.24 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -80.91 125.32 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.841 HG13 ' HB ' ' A' ' 70' ' ' THR . 45.7 t -111.86 143.74 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.6 t 156.99 44.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.93 43.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 71' ' ' THR . . . 88.51 -28.83 6.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.841 ' HB ' HG13 ' A' ' 66' ' ' VAL . 51.5 m -37.85 110.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.404 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 69' ' ' GLY . 4.2 p -140.42 32.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -177.83 153.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.981 HD22 HG21 ' A' ' 14' ' ' VAL . 4.3 tp -118.76 141.84 48.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.88 119.32 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.45 111.04 20.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 10.7 mttp -111.66 136.9 50.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.832 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -109.7 141.87 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.12 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 31.4 m-85 -141.9 -163.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 82' ' ' VAL . 18.4 t0 -116.62 135.67 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -44.63 -28.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' O ' HG23 ' A' ' 82' ' ' VAL . 67.8 m-20 -100.71 43.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 53.1 t -153.49 150.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -93.53 135.48 12.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.5 p -38.13 -32.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 83' ' ' GLY . 33.9 mt-10 -106.98 55.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.4 t70 -135.45 -68.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.83 114.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.12 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -92.86 117.55 30.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.832 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -41.18 -29.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 177.32 176.07 45.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -146.97 170.61 16.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.801 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -155.15 140.54 17.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 m -96.76 115.65 27.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.963 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -108.32 100.21 36.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.99 135.21 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.603 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.1 mt -96.79 6.15 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.682 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 3.0 tt0 -63.15 -39.76 54.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.02 -25.94 11.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.564 HG22 ' H ' ' A' ' 128' ' ' PHE . 1.2 p -88.56 -3.56 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 12.5 m-30 -97.94 -31.76 12.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.6 m -93.6 -34.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.67 -44.4 14.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.74 -13.04 61.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 105' ' ' ILE . 41.5 p -167.44 129.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 106' ' ' PRO . 44.3 mm -120.4 138.64 27.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.96 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -121.59 146.09 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.932 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -78.81 105.44 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 69.0 m-85 -81.66 131.78 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -44.63 123.63 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.801 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.2 t -110.88 111.39 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.459 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.22 169.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 46.5 tptt -143.55 88.99 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.1 t70 87.21 -22.67 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.565 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.76 -21.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.459 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.9 mt-10 -87.34 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.717 ' HE2' HD11 ' A' ' 22' ' ' LEU . 66.6 t80 -76.95 113.87 15.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.462 ' HB2' HG12 ' A' ' 112' ' ' VAL . 4.0 mmpt? -86.84 -29.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 159.73 -136.38 4.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.752 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 7.6 pt-20 -143.29 149.15 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.623 HG13 ' HB2' ' A' ' 19' ' ' ALA . 9.5 tt -116.82 121.31 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.932 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 36.2 m95 -83.46 123.72 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.476 HG23 ' C ' ' A' ' 123' ' ' TRP . 46.9 t -154.8 133.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.741 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -102.51 138.53 39.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.963 HD11 ' CG2' ' A' ' 94' ' ' ILE . 11.9 mt -113.99 136.36 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.98 96.47 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.564 ' H ' HG22 ' A' ' 99' ' ' VAL . 38.4 t80 -77.16 155.12 32.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -138.72 91.78 11.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.59 32.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.0 t -77.92 86.08 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.78 -147.94 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 63.67 6.01 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.8 m 65.5 75.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.944 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 20.3 p 49.37 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.84 128.61 37.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 0.782 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -151.02 133.04 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.94 -129.18 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t 75.43 -57.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m 63.26 141.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.46 -166.25 18.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.02 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.16 124.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.604 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.44 -140.57 6.27 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 48.7 m -121.6 144.69 48.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.9 HD11 HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -112.1 144.84 40.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.773 ' H ' HD22 ' A' ' 12' ' ' LEU . 3.1 tt0 -125.14 102.74 7.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.01 HG22 HD12 ' A' ' 126' ' ' LEU . 7.6 t -91.74 125.62 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.677 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 58.7 t -115.39 86.07 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 14.1 tp -70.47 89.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 18' ' ' SER . 55.6 t -63.15 -88.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.481 ' N ' HG12 ' A' ' 17' ' ' VAL . 3.0 p -149.72 -170.78 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.17 135.73 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.8 OUTLIER -122.48 150.28 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 -175.41 28.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.0 mm? -79.46 -151.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -100.67 -40.32 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -113.26 60.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.85 131.37 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 29' ' ' ASN . 2.1 t0 -91.85 35.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' A' ' 28' ' ' LEU . 20.2 t80 -85.73 126.55 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 66.45 25.63 10.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 26' ' ' ASP . 1.6 t-20 -60.82 -147.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -67.52 76.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.0 ptm -148.52 -172.93 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 1.3 m-20 -132.56 66.16 76.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -74.99 163.86 34.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.555 1.818 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 32.4 p90 -147.6 141.47 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.565 HG23 ' CZ2' ' A' ' 58' ' ' TRP . 46.0 t -91.83 145.23 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -129.06 96.08 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -68.49 156.06 38.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 73' ' ' LEU . 12.5 m -149.23 134.76 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 29.4 t -134.02 107.64 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.4 mmm180 67.95 -84.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 p -138.86 17.47 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.578 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -114.04 114.76 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -108.72 148.74 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -152.02 122.43 7.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 3.3 mtmt -87.19 159.22 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -111.16 167.44 10.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -48.26 155.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 12.1 t -88.3 124.57 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -68.87 82.11 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HG3' HG12 ' A' ' 48' ' ' VAL . 55.1 mt-10 -76.03 114.35 14.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.56 73.12 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmt -115.55 -23.44 8.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.72 -151.14 19.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 55' ' ' THR . 1.1 p -88.3 27.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 54' ' ' THR . 1.4 p -155.37 70.08 5.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.96 123.52 7.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -112.67 137.62 50.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CZ2' HG23 ' A' ' 35' ' ' VAL . 22.8 m-90 -112.37 -49.62 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 108.03 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 54.47 40.58 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -96.0 -175.13 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 16.0 m -145.47 117.19 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.762 ' CD2' HD23 ' A' ' 37' ' ' LEU . 62.4 m-85 -118.24 124.57 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.2 mm -94.78 150.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 18.3 m-85 -147.83 145.54 28.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.44 115.58 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 15.6 t -97.8 148.85 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -177.15 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -156.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.51 25.67 8.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 70' ' ' THR . 0.9 OUTLIER -87.31 101.44 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 110.375 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.7 p -121.23 40.27 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 6.5 pt-20 -177.89 136.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.956 HD22 HG21 ' A' ' 14' ' ' VAL . 5.0 tp -96.62 141.43 29.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -104.25 125.63 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.06 99.2 6.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 4.1 mttp -100.3 123.23 44.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.778 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.1 mp -89.36 144.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.061 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.6 m-85 -142.76 -170.61 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.5 ' OD1' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -119.97 133.05 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' HD3' HG11 ' A' ' 48' ' ' VAL . 1.1 ttpt -43.7 -35.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 82' ' ' VAL . 36.7 m-20 -91.12 41.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 86' ' ' ASP . 84.0 t -157.33 153.75 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -98.88 134.26 11.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.458 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 25.2 p -36.46 -36.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.22 54.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 65.1 t0 -137.68 -66.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -167.86 119.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.061 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -94.76 116.12 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.778 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -40.86 -30.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.1 -179.83 48.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.45 171.32 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.743 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -156.55 144.28 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 18.0 m -104.43 112.3 25.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.645 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.2 mt -106.93 102.06 40.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.4 Cg_endo -74.97 136.02 19.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.0 mt -96.04 4.07 52.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.5 tt0 -60.46 -40.76 79.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 128' ' ' PHE . 0.5 OUTLIER -83.43 -8.72 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 13.5 m-30 -94.44 -33.89 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.4 m -90.25 -32.62 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.2 mm-40 -87.83 -37.68 16.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -12.19 68.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.549 ' O ' HD13 ' A' ' 105' ' ' ILE . 18.8 p -164.8 129.27 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.687 HG12 HG23 ' A' ' 99' ' ' VAL . 43.5 mm -122.5 137.73 28.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.97 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.542 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.98 102.76 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.27 155.4 28.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -85.56 114.95 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.606 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 72.8 m-85 -93.67 137.01 33.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.93 131.4 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.743 HG22 ' HB2' ' A' ' 92' ' ' ALA . 50.3 t -118.44 113.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.68 169.88 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 43.3 tptt -143.16 88.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 87.38 -22.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.22 -21.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.23 137.63 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.75 ' HE2' HD11 ' A' ' 22' ' ' LEU . 64.0 t80 -77.56 113.07 15.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -81.71 -37.36 27.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 169.23 -141.45 6.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.8 pt-20 -137.15 142.1 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.527 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.8 tt -113.5 120.71 64.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.3 m95 -80.65 113.34 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.606 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 47.6 t -129.06 160.62 39.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.677 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -148.88 116.08 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.01 HD12 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -105.35 141.7 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER -137.8 86.6 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.692 ' H ' HG22 ' A' ' 99' ' ' VAL . 30.5 t80 -60.7 163.1 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -147.5 90.44 5.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.1 p -63.52 87.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.24 -145.8 12.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.24 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.4 p -177.11 131.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.03 155.14 17.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.28 152.35 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.963 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.24 141.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.19 -149.86 17.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m 58.8 83.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.43 163.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 178.46 38.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.01 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.19 144.9 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.67 -140.44 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.596 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 94.2 m -107.42 150.75 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.848 HD11 HD22 ' A' ' 96' ' ' LEU . 1.1 tp -125.68 143.69 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.3 tt0 -110.77 146.21 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.908 HG11 ' HG ' ' A' ' 37' ' ' LEU . 52.9 t -136.19 106.53 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.651 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 30.6 t -102.55 103.6 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD11 HG21 ' A' ' 35' ' ' VAL . 13.5 tp -85.55 91.83 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG12 ' OG ' ' A' ' 18' ' ' SER . 72.7 t -68.65 -89.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.519 ' OG ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -151.11 -171.98 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.014 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.25 140.13 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CG ' HG22 ' A' ' 55' ' ' THR . 3.3 mttt -123.63 147.09 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.59 -177.34 29.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.73 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.8 mm? -74.55 -168.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.18 -40.57 19.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.53 61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.88 127.14 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.91 38.05 0.91 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 13.4 t80 -83.39 114.92 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 27' ' ' PHE . 17.0 mt 76.06 31.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -60.01 -146.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -63.37 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.6 ptm -153.49 -179.14 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 m-20 -126.53 73.52 74.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 177.4 8.64 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CD2' ' HD2' ' A' ' 45' ' ' LYS . 41.6 p90 -161.61 144.28 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.741 HG21 HD11 ' A' ' 16' ' ' LEU . 34.0 t -91.72 140.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 45' ' ' LYS . 3.3 tt0 -125.25 100.03 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.908 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -64.4 143.16 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.472 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -139.65 120.78 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -130.62 91.34 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.287 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? 63.12 -84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.1 p -119.79 -5.11 10.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -92.72 115.21 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.15 120.59 34.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 69.3 mt-30 -132.33 122.39 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HD2' ' CD2' ' A' ' 34' ' ' TYR . 1.5 ttpm? -122.37 156.13 34.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -110.1 165.23 11.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' SER . 2.9 m120 -49.3 177.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 6.5 m -91.01 148.86 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -80.72 87.68 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.1 mt-10 -70.42 132.49 45.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.23 67.3 0.3 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.471 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -116.03 -32.46 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.98 -153.28 20.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 p -82.52 10.31 7.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 0.768 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.499 HG22 ' CG ' ' A' ' 20' ' ' LYS . 3.2 p -138.7 73.54 40.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.177 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.478 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 153.12 41.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.79 150.74 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.55 ' CH2' HG23 ' A' ' 35' ' ' VAL . 16.5 m-90 -130.69 -51.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LEU . 20.5 m-20 61.92 34.72 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -177.61 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m -144.75 124.41 13.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' CD2' HD23 ' A' ' 37' ' ' LEU . 42.5 m-85 -126.48 121.8 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 8.1 mm -89.93 141.57 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' HB2' HD23 ' A' ' 12' ' ' LEU . 44.3 m-85 -132.21 124.91 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -68.53 120.34 14.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 55.2 t -97.35 148.02 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -176.92 74.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 56.67 161.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.251 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.94 -55.13 3.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.494 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 11.7 m -66.11 116.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.1 p -141.85 13.3 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -173.74 152.63 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 38' ' ' THR . 12.5 tp -112.97 145.52 40.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -109.66 127.57 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.87 123.26 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 10.9 mttp -121.31 140.49 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.725 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -114.97 144.34 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.96 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 14.6 m-85 -144.18 -159.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.768 ' HB3' HG13 ' A' ' 82' ' ' VAL . 34.2 t0 -120.22 140.67 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -53.57 -28.24 30.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -73.06 -22.14 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.768 HG13 ' HB3' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -110.47 -176.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -129.69 154.91 20.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 21.8 p -37.16 -32.84 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' GLY . 3.7 pt-20 -107.65 78.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.79 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.88 112.44 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.96 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -89.49 116.08 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.725 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.7 OUTLIER -48.52 -29.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.56 176.29 44.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.01 168.26 23.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.833 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -146.66 151.0 36.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 m -107.15 113.12 26.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.092 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.5 mt -108.15 101.48 41.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -74.98 139.4 24.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.848 HD22 HD11 ' A' ' 12' ' ' LEU . 9.2 mt -98.19 7.38 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.8 tt0 -63.99 -41.59 63.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.1 Cg_endo -75.04 -28.45 9.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.658 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -84.6 -3.57 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 96' ' ' LEU . 1.9 m-85 -100.08 -23.84 14.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.7 m -103.36 -32.09 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.74 -36.28 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.04 -9.59 76.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -174.26 123.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 99' ' ' VAL . 35.2 mm -111.52 139.87 22.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.06 170.42 20.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 101.58 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -116.29 150.1 38.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.852 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -83.2 105.13 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.541 ' CD2' HG12 ' A' ' 94' ' ' ILE . 79.1 m-85 -82.0 137.34 35.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -51.39 127.96 21.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.833 HG22 ' HB2' ' A' ' 92' ' ' ALA . 39.6 t -112.91 110.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.561 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -108.3 172.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 12.4 tptt -146.84 90.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.1 t0 87.18 -25.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER 158.53 -22.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.561 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.3 mm-40 -86.88 153.14 21.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.73 ' HE2' HD11 ' A' ' 22' ' ' LEU . 46.8 t80 -86.49 127.24 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.77 -31.88 10.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . 161.13 -142.87 8.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.852 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.5 pt-20 -135.26 149.41 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.758 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.453 ' HB ' HG21 ' A' ' 112' ' ' VAL . 3.3 tt -119.15 121.8 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.777 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 44.7 m95 -83.8 121.44 27.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 108.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 123' ' ' TRP . 23.7 t -153.11 141.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.651 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -114.72 142.87 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.092 HD11 ' CG2' ' A' ' 94' ' ' ILE . 2.7 mt -119.77 151.61 38.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -150.08 112.34 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 25.8 t80 -91.93 144.15 25.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -133.86 90.33 27.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 133.02 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.3 t -60.07 88.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -122.03 170.23 14.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 76.78 3.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -164.89 -59.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 45.5 p -50.75 131.96 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -95.24 126.59 40.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 m -146.08 165.54 28.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 148.71 20.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -151.88 132.69 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -164.41 154.1 13.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.07 -168.02 40.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -75.0 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -168.16 135.79 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.08 -127.62 1.88 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.609 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 63.9 m -125.82 152.27 45.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.057 HD22 ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -119.49 130.8 55.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 1.057 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -110.39 123.19 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.769 ' CG2' HD11 ' A' ' 12' ' ' LEU . 67.3 t -118.61 108.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 43.7 t -98.69 95.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 35' ' ' VAL . 17.3 tp -71.48 85.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 107' ' ' PRO . 79.6 t -62.62 -84.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.417 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 80.0 p -153.33 -171.19 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -153.68 147.1 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -125.41 144.25 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.08 174.06 19.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? -68.31 -171.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.71 -9.32 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.43 53.32 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.42 -156.88 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -145.72 79.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.814 ' CE1' HD13 ' A' ' 28' ' ' LEU . 33.4 t80 -148.06 124.24 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.814 HD13 ' CE1' ' A' ' 27' ' ' PHE . 3.5 mp 66.62 36.03 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.31 121.53 45.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 41.75 77.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 9.9 ptm -171.74 -179.83 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.561 ' HB3' HG13 ' A' ' 48' ' ' VAL . 32.7 m-20 -129.79 68.22 80.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.08 160.37 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 50.5 p90 -142.7 146.53 34.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 16' ' ' LEU . 85.0 t -91.24 148.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 8.6 tt0 -134.64 97.55 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.942 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -66.62 139.73 57.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -133.98 141.19 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.7 OUTLIER -141.67 95.39 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.303 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.3 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.38 8.62 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.576 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 3.4 pt20 -109.73 114.11 27.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -110.05 155.55 21.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -150.42 120.8 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 4.6 mtmp? -90.71 155.74 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.57 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -59.08 157.36 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 32' ' ' ASP . 8.2 t -86.1 126.6 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -75.59 89.38 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' HG3' HG12 ' A' ' 48' ' ' VAL . 45.0 mt-10 -82.38 130.98 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.12 70.61 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.458 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -115.46 -32.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.985 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.81 -146.61 18.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -88.42 21.05 3.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 20' ' ' LYS . 1.8 p -148.8 70.26 10.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.5 Cg_endo -75.0 144.0 29.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 5.9 mp0 -119.29 172.36 7.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 24.8 m-90 -158.0 -46.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 26.04 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -176.35 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -150.81 119.05 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.942 ' CD1' HD23 ' A' ' 37' ' ' LEU . 93.1 m-85 -114.72 147.59 39.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.609 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.9 mm -123.47 140.31 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 60.6 m-85 -139.55 144.9 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -79.01 131.48 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.81 140.18 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -141.69 -70.56 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.59 145.6 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.7 -41.86 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 44.8 m -69.2 94.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -128.25 33.05 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.4 pt-20 -176.13 150.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 74' ' ' LYS . 2.3 tm? -107.51 151.74 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 1.023 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.52 127.03 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.76 103.58 6.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.2 mttp -104.02 131.45 51.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.916 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -97.11 138.18 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.167 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.4 m-85 -139.36 -169.15 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 82' ' ' VAL . 14.2 t70 -121.43 130.06 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -42.38 -33.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 82' ' ' VAL . 1.2 t0 -94.36 44.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 81' ' ' ASP . 79.2 t -157.54 154.26 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -97.44 136.14 12.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -38.45 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 83' ' ' GLY . 4.7 pt-20 -108.36 59.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 30.1 t0 -138.63 -70.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -168.05 111.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.167 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -86.94 116.52 25.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.916 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -39.81 -30.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 178.79 -177.84 48.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.71 174.33 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.734 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -158.54 140.58 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 m -107.11 111.14 23.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.124 ' CG2' HD11 ' A' ' 126' ' ' LEU . 2.7 mp -106.62 107.07 59.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.01 139.31 24.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 9.7 mt -96.06 3.84 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.668 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.6 tt0 -60.75 -40.85 78.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -27.29 10.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.806 HG23 HG12 ' A' ' 105' ' ' ILE . 1.1 p -89.51 -4.27 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 9.4 m-30 -95.22 -34.1 12.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.9 m -88.55 -34.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.431 ' HG2' HG23 ' A' ' 101' ' ' VAL . 3.5 mm-40 -84.75 -46.11 11.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.78 -4.83 61.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.163 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.588 ' O ' HD13 ' A' ' 105' ' ' ILE . 79.5 p -170.07 128.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.806 HG12 HG23 ' A' ' 99' ' ' VAL . 39.6 mm -126.76 140.84 38.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.55 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.42 22.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.557 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.4 Cg_endo -74.97 101.93 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -111.62 148.41 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.847 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -83.85 106.06 15.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.589 ' CD2' HG12 ' A' ' 94' ' ' ILE . 95.2 m-85 -86.39 134.86 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -49.65 121.56 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 92' ' ' ALA . 56.2 t -105.31 113.3 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.1 172.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.244 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -148.43 92.62 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 10.9 t0 85.82 -26.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.16 -21.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 113' ' ' VAL . 2.8 mm-40 -85.97 152.1 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.484 ' CD2' HD21 ' A' ' 22' ' ' LEU . 58.5 t80 -88.03 119.98 28.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 4.0 mmpt? -93.42 -23.89 18.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 22' ' ' LEU . . . 149.32 -144.17 11.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.732 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 10.0 pt-20 -133.12 146.4 51.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 112' ' ' VAL . 4.5 tt -118.86 122.79 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.847 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.0 m95 -84.55 126.08 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.44 HG23 ' C ' ' A' ' 123' ' ' TRP . 30.2 t -153.68 139.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.589 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -107.68 145.23 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.124 HD11 ' CG2' ' A' ' 94' ' ' ILE . 9.8 mt -119.94 140.85 50.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -148.96 88.66 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.57 ' HB2' HG13 ' A' ' 99' ' ' VAL . 41.1 t80 -73.34 144.38 46.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -127.59 90.69 47.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 146.71 33.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -98.91 61.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.56 -148.41 2.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 75.81 3.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m 57.19 105.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.88 118.86 20.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -134.48 129.36 35.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -112.48 158.42 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.06 162.28 21.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -141.64 109.3 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 149.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.45 -172.63 45.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 -179.04 4.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -166.41 130.43 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.9 -136.86 4.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.415 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 54.2 m -130.18 143.48 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.929 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -106.39 144.71 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.861 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.4 tt0 -127.15 102.17 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.929 HG23 HD11 ' A' ' 12' ' ' LEU . 23.2 t -89.17 125.16 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 59.6 t -114.15 91.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD21 ' HB ' ' A' ' 35' ' ' VAL . 7.9 tp -69.82 91.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 107' ' ' PRO . 65.6 t -67.43 -85.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' TRP . 83.8 p -157.72 -167.64 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -156.11 142.38 18.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HG2' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -134.39 153.37 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.11 -174.49 30.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.739 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.8 mm? -73.4 164.91 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -51.66 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.46 67.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -135.68 119.0 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' ASP . 5.3 t0 -78.45 74.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.523 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 13.9 t80 -125.61 118.91 26.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD13 ' CD ' ' A' ' 56' ' ' PRO . 13.1 mt 75.36 33.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.8 t-20 -63.51 -147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.58 72.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ASN . 5.2 ptm -144.76 -173.06 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.652 ' HB3' HG13 ' A' ' 48' ' ' VAL . 19.3 m-20 -126.1 71.39 69.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.3 Cg_endo -75.0 150.96 38.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 43.1 p90 -149.14 134.87 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.014 HG22 HG13 ' A' ' 77' ' ' ILE . 87.1 t -92.01 148.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.629 ' OE1' HG21 ' A' ' 84' ' ' THR . 15.2 tt0 -120.16 97.19 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.764 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.04 128.02 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.79 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.7 m -129.58 134.34 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -141.37 110.66 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 108.309 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.504 ' CD ' ' OG1' ' A' ' 70' ' ' THR . 0.0 OUTLIER 60.26 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -136.81 10.29 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -101.31 114.68 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.03 130.41 55.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -148.3 124.01 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 34' ' ' TYR . 18.6 mtpt -97.52 166.36 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -110.85 169.7 8.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -48.59 158.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HB3' ' A' ' 32' ' ' ASP . 4.0 t -88.34 105.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -63.48 90.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.583 ' HG3' HG12 ' A' ' 48' ' ' VAL . 14.9 mt-10 -77.47 116.24 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.62 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.694 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 5.3 mmt -110.44 -31.22 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 54' ' ' THR . . . 102.72 70.83 0.86 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.511 ' C ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER 43.9 26.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' C ' ' A' ' 54' ' ' THR . 31.4 p -157.07 74.91 4.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.528 ' CD ' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 112.01 3.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' CD ' ' ND2' ' A' ' 59' ' ' ASN . 25.0 tt0 -102.12 132.61 47.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.462 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 17.8 m-90 -113.93 -58.97 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.034 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' LEU . 21.1 m-20 63.41 36.42 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -171.15 2.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 4.7 m -148.75 119.91 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.593 ' CD1' HD23 ' A' ' 37' ' ' LEU . 44.3 m-85 -120.17 133.11 55.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 2.3 mm -103.42 152.99 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 43.7 m-85 -152.48 129.72 11.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -73.48 130.58 40.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.44 147.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t -159.04 -52.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -167.9 140.96 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.86 -52.82 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.504 ' OG1' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m -69.76 104.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.1 p -130.22 5.09 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -164.41 143.56 7.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.862 HD22 HG21 ' A' ' 14' ' ' VAL . 6.8 tp -99.93 142.31 31.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 123.54 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.85 102.96 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 15.4 mttp -105.42 132.19 51.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 1.014 HG13 HG22 ' A' ' 35' ' ' VAL . 4.0 mp -102.27 142.73 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.154 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 78.5 m-85 -143.28 -158.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.738 ' HB3' HG13 ' A' ' 82' ' ' VAL . 14.2 t0 -124.9 126.02 44.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.03 -29.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 22.0 t70 -70.66 -54.75 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.738 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.4 m -68.93 -163.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.623 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -140.4 155.02 24.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.629 HG21 ' OE1' ' A' ' 36' ' ' GLN . 6.0 p -40.26 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' GLY . 59.7 mt-10 -116.07 82.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.28 -69.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.83 114.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.154 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -93.64 117.85 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.833 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.91 -28.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 176.47 178.42 46.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -149.07 176.93 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.682 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -161.34 141.97 11.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.41 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 23.7 m -100.1 114.72 28.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CG2' HD21 ' A' ' 126' ' ' LEU . 4.0 mt -108.46 100.15 36.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.03 136.75 20.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.619 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 21.2 mt -96.51 6.04 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.716 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.7 tt0 -62.69 -39.83 58.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -28.47 9.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG22 ' H ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -83.56 -10.19 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.619 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -92.19 -34.83 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.716 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.3 m -88.87 -35.37 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 101' ' ' VAL . 5.1 mm-40 -86.27 -29.38 23.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.99 -8.52 50.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 83.7 p -168.48 130.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.476 HG23 ' HD2' ' A' ' 106' ' ' PRO . 16.3 mm -125.03 137.11 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.476 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.628 ' HA ' ' HB2' ' A' ' 125' ' ' ALA . 18.2 Cg_endo -74.98 111.13 3.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -124.78 158.4 33.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -89.73 112.37 23.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 90.9 m-85 -89.54 135.81 33.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -53.95 124.28 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.682 HG22 ' HB2' ' A' ' 92' ' ' ALA . 49.5 t -109.61 112.61 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.89 172.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 45.5 tptt -146.3 90.23 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.687 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 76.5 m-20 81.96 -21.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.539 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.25 -21.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -86.49 137.54 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.739 ' HE2' HD11 ' A' ' 22' ' ' LEU . 64.7 t80 -77.89 101.74 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.554 ' HB2' HG12 ' A' ' 112' ' ' VAL . 7.4 mmpt? -68.49 -42.15 79.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.487 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 170.09 -130.01 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.55 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.5 pt-20 -145.0 143.27 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.794 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.61 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.4 tt -114.4 118.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.471 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 33.9 m95 -78.38 120.67 23.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.604 ' HB ' ' CE2' ' A' ' 110' ' ' TYR . 4.6 t -141.79 165.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 107' ' ' PRO . . . -152.63 122.71 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -109.1 140.65 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -134.95 88.49 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.721 ' H ' HG22 ' A' ' 99' ' ' VAL . 26.7 t80 -63.94 159.9 18.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -143.21 88.67 8.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.21 26.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.9 m -81.26 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -116.62 -143.5 7.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 62.97 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 87.1 p -89.97 110.56 21.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.32 164.38 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.64 149.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -175.13 118.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.69 -144.75 16.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -86.03 155.12 20.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -128.31 89.89 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.02 -167.32 27.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.8 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 113.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.96 -136.92 3.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.501 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 50.0 m -125.48 146.9 49.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.956 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -109.0 148.21 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.874 ' H ' HD22 ' A' ' 12' ' ' LEU . 2.1 tt0 -131.23 110.31 11.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.987 HG21 HD22 ' A' ' 73' ' ' LEU . 24.9 t -105.38 109.4 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.739 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 96.8 t -96.51 92.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.902 HD13 ' CB ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -64.62 102.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG12 ' N ' ' A' ' 18' ' ' SER . 7.7 t -81.04 -85.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.66 ' N ' HG12 ' A' ' 17' ' ' VAL . 9.9 p -151.55 -170.19 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.84 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -157.9 136.44 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.1 mttm -112.3 156.71 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -124.43 54.02 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 118' ' ' TYR . 51.8 mt 45.04 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 0.736 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.65 8.5 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.2 41.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 21' ' ' GLY . . . -145.77 128.34 16.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 8.6 p-10 -82.39 50.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.747 ' CE1' HD13 ' A' ' 28' ' ' LEU . 31.5 t80 -104.68 128.52 52.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER 67.01 20.09 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' MET . 5.3 t-20 -60.75 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.1 74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 5.1 ptm -149.33 -172.69 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 2.6 m-20 -132.41 62.99 66.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 18.3 Cg_endo -75.0 164.0 34.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 50.7 p90 -143.27 146.02 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.451 HG23 ' CH2' ' A' ' 58' ' ' TRP . 98.4 t -91.19 147.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' OE1' HG21 ' A' ' 84' ' ' THR . 14.4 tt0 -140.29 107.28 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.809 HD23 ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -76.02 165.45 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.832 HG23 ' HB3' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -149.02 127.14 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' HG21 ' A' ' 70' ' ' THR . 1.8 t -142.45 89.2 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.1 OUTLIER 60.16 96.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' ARG . 76.9 p 32.36 38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -147.04 112.36 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.832 ' HB3' HG23 ' A' ' 38' ' ' THR . 3.1 p30 -125.61 165.34 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 69.1 mt-30 -152.52 120.79 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 20.2 mtmt -86.04 154.77 21.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.632 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.33 171.11 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -48.37 152.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.551 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 11.3 t -78.7 133.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.21 82.66 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' GLY . 35.7 mt-10 -73.79 119.41 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.87 64.65 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.24 -32.16 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 105.79 -171.67 18.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -65.12 -9.88 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.498 HG22 ' CG ' ' A' ' 20' ' ' LYS . 20.4 p -126.81 72.54 75.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HD2' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 131.08 13.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 60.1 mp0 -108.19 125.75 52.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.902 ' CB ' HD13 ' A' ' 16' ' ' LEU . 19.6 m-90 -104.3 -46.76 4.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 108.004 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER 54.12 34.98 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -84.55 -177.48 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -150.8 122.63 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.809 ' CD1' HD23 ' A' ' 37' ' ' LEU . 81.4 m-85 -121.16 147.1 46.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.501 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 4.5 mm -118.55 143.14 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.587 ' HD2' HD12 ' A' ' 12' ' ' LEU . 73.4 m-85 -142.3 154.22 44.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -93.65 129.18 40.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.752 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 26.8 t -114.19 149.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -156.64 -76.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -145.13 145.58 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.22 -58.15 4.74 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.496 HG21 ' SG ' ' A' ' 39' ' ' CYS . 17.4 m -70.41 105.27 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.748 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 p -131.55 12.92 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.25 153.45 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.987 HD22 HG21 ' A' ' 14' ' ' VAL . 3.8 tp -112.86 139.88 48.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 127.98 53.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -121.58 114.43 21.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 12.9 mttp -117.73 141.23 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.7 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.4 mp -116.44 149.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.792 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 5.6 m-85 -147.97 -154.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' VAL . 28.4 t70 -121.26 136.94 54.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.47 ' HE3' ' CB ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -45.63 -29.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 3.8 t0 -99.5 40.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 86' ' ' ASP . 52.5 t -152.33 148.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . . . -92.73 139.73 14.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.607 HG21 ' OE1' ' A' ' 36' ' ' GLN . 9.3 p -35.73 -37.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.34 63.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.563 ' HB3' HG13 ' A' ' 82' ' ' VAL . 2.0 t0 -140.52 -52.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -177.72 109.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.792 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -87.16 135.39 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.7 ' CG2' HG22 ' A' ' 77' ' ' ILE . 2.9 m -71.29 -35.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.415 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -169.61 164.87 38.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -145.39 167.24 23.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -154.48 151.47 28.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.0 m -107.73 112.16 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.008 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.0 mt -107.04 102.53 43.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 137.97 22.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.618 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.9 mt -99.74 3.87 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.705 ' O ' HG13 ' A' ' 101' ' ' VAL . 3.9 tt0 -62.74 -40.15 61.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.6 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.586 HG23 HG12 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -76.28 -11.02 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.752 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 16.0 m-30 -93.45 -29.89 15.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.2 m -92.56 -36.01 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.4 mm-40 -84.45 -33.11 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.09 -8.95 71.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -172.84 130.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.586 HG12 HG23 ' A' ' 99' ' ' VAL . 5.0 mm -125.44 140.15 35.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.95 170.81 19.58 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -117.16 149.77 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.892 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -81.8 103.3 11.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.504 ' CD2' HG12 ' A' ' 94' ' ' ILE . 70.4 m-85 -82.24 134.75 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.7 OUTLIER -47.01 128.97 11.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 92' ' ' ALA . 42.3 t -113.91 114.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.93 171.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 10.4 tppt? -152.31 90.75 1.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 7.8 t0 90.12 -26.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 154.95 -19.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -85.41 137.66 32.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.467 ' CD2' HD11 ' A' ' 22' ' ' LEU . 59.2 t80 -77.23 100.4 5.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.587 ' HB2' HG12 ' A' ' 112' ' ' VAL . 1.7 mmpt? -66.0 -59.1 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -173.75 -124.32 0.78 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.677 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 8.8 pt-20 -150.15 145.72 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.84 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.0 tt -116.67 122.54 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.892 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.6 m95 -84.79 123.15 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.533 ' CG1' HG13 ' A' ' 14' ' ' VAL . 25.1 t -153.09 137.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.739 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -103.32 142.95 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.008 HD11 ' CG2' ' A' ' 94' ' ' ILE . 19.0 mt -117.11 133.58 55.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.54 102.68 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 99' ' ' VAL . 36.2 t80 -85.18 153.8 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 40.8 mttp -137.52 91.26 14.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.56 29.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 81.23 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.03 -146.72 2.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 85.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.58 145.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.2 p -80.24 110.1 15.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 151.21 37.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -101.51 147.84 25.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.38 142.15 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -162.28 129.1 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.01 163.02 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.69 -175.66 40.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -178.35 127.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.41 -150.58 18.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 19.0 m -111.6 151.04 29.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.383 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.946 HD11 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -113.25 141.44 46.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.671 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -124.48 109.5 13.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.129 HG21 HD22 ' A' ' 73' ' ' LEU . 30.3 t -98.86 123.43 51.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.16 91.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.1 tp -68.76 94.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 107' ' ' PRO . 73.2 t -72.14 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -149.4 -174.16 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -151.6 130.96 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.866 ' CG ' HG22 ' A' ' 55' ' ' THR . 4.7 mttt -112.8 138.71 49.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.57 -151.9 14.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.776 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 52.5 mt -107.51 165.55 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.42 -18.59 33.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -127.83 46.42 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -162.42 132.42 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -85.18 90.25 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -130.05 120.67 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.696 HD22 ' CG ' ' A' ' 33' ' ' PRO . 39.0 mt 69.66 32.7 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' LEU . 1.8 t-20 -60.6 -145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -69.97 74.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.433 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 5.1 ptm -146.97 -174.62 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 23.9 m-20 -121.94 74.54 37.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.696 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 172.12 16.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 78' ' ' PHE . 26.4 p90 -168.51 135.01 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.709 HG22 HG13 ' A' ' 77' ' ' ILE . 98.1 t -91.18 146.87 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -115.3 96.53 5.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.823 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.9 119.41 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 73' ' ' LEU . 39.0 m -124.94 138.3 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -141.47 89.36 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.235 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 65.81 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 p -111.44 -5.66 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -92.67 116.6 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.77 118.65 30.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' LEU . 51.1 mt-30 -137.64 127.08 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -100.35 165.53 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.67 159.95 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 58' ' ' TRP . 4.5 m120 -47.9 148.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 80' ' ' LYS . 14.2 t -74.61 132.83 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.46 88.87 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.09 132.62 36.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.01 64.13 0.83 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.541 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -112.5 -31.96 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 111.033 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 97.17 -156.75 20.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 p -81.87 10.59 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.866 HG22 ' CG ' ' A' ' 20' ' ' LYS . 9.0 p -140.32 64.27 24.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HA ' ' CG ' ' A' ' 52' ' ' MET . 18.3 Cg_endo -74.97 149.43 36.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 8.2 tt0 -124.42 166.19 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 23.7 m-90 -145.78 -48.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 43.3 m-80 56.1 32.91 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.41 -172.86 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 m -152.74 120.37 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.823 ' CG ' HD23 ' A' ' 37' ' ' LEU . 20.7 m-85 -118.13 138.25 52.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.6 mm -109.77 147.42 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 71.7 m-85 -148.52 123.13 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 m -62.14 128.55 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 20.1 t -111.92 141.88 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -158.19 -60.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.64 137.03 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.05 -50.45 3.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.5 m -66.57 94.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -132.98 8.76 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -161.17 145.41 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.129 HD22 HG21 ' A' ' 14' ' ' VAL . 14.3 tp -104.76 145.72 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.48 123.42 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.42 102.78 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 11.2 mttm -102.16 120.98 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 1.01 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.4 mp -82.93 131.23 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.891 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 61.3 m-85 -134.38 -173.91 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' VAL . 9.1 t70 -124.86 130.52 52.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.566 ' HD3' HG11 ' A' ' 48' ' ' VAL . 3.5 ttpt -43.26 -37.9 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.569 ' O ' HG23 ' A' ' 82' ' ' VAL . 0.8 OUTLIER -88.91 42.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 81' ' ' ASP . 53.6 t -157.82 146.91 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -92.17 134.96 12.48 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -38.62 -31.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' GLY . 36.7 mt-10 -104.7 50.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.502 ' HB3' HG13 ' A' ' 82' ' ' VAL . 26.5 t0 -129.71 -63.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -179.54 114.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.891 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -82.84 116.26 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.01 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.88 -27.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . 179.58 -179.88 48.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.48 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -150.93 170.16 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.731 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -155.64 151.94 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 m -111.95 114.24 27.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.675 HG22 HD11 ' A' ' 126' ' ' LEU . 3.1 mt -109.39 99.59 37.52 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -74.96 137.76 22.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD13 ' HG ' ' A' ' 12' ' ' LEU . 3.1 mt -98.8 14.85 27.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.796 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -74.22 -32.72 1.51 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.01 -25.95 11.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.897 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -90.44 -26.02 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.672 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 9.0 m-30 -68.6 -29.49 68.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.7 m -95.87 -48.2 12.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.4 mm-40 -72.14 -42.88 65.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.88 -10.98 66.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.3 p -168.59 126.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.897 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.3 mm -126.39 140.76 38.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.574 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.97 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -119.2 141.87 48.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.802 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -71.06 100.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 94' ' ' ILE . 53.2 m-85 -80.19 135.18 36.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.66 122.09 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.731 HG22 ' HB2' ' A' ' 92' ' ' ALA . 22.6 t -107.02 111.13 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.539 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -111.26 171.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -148.35 94.05 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 5.5 t0 85.81 -26.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 158.06 -21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.539 ' C ' HG12 ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.31 151.55 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.727 ' HE2' HD21 ' A' ' 22' ' ' LEU . 67.9 t80 -89.26 119.05 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.484 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.9 mmpt? -89.86 -52.16 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -173.33 -135.45 2.0 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.758 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 9.1 pt-20 -143.8 147.73 34.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 19' ' ' ALA . 9.7 tt -119.98 122.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.802 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 33.8 m95 -84.23 124.36 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 5.9 t -151.56 134.97 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.556 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -117.46 134.21 55.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.73 ' HB2' HG11 ' A' ' 99' ' ' VAL . 2.8 mt -106.05 161.33 14.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.22 74.69 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 35.0 t80 -55.62 157.83 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -141.68 91.01 8.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.99 29.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.6 m -74.52 57.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.28 -146.14 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 172.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.77 -57.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.572 1.17 . . . . 0.0 110.968 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.49 123.93 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 123.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.56 147.8 6.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.85 93.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -176.49 151.1 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -175.81 44.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.769 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -176.77 126.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.02 -115.15 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.514 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 22.3 m -141.03 158.23 44.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' HG21 ' A' ' 66' ' ' VAL . 4.4 tp -124.44 144.8 49.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.6 tt0 -121.12 119.09 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.596 HG11 ' HG ' ' A' ' 37' ' ' LEU . 73.7 t -110.81 114.19 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.787 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.3 t -105.78 95.91 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 35' ' ' VAL . 21.5 tp -73.25 90.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 107' ' ' PRO . 47.9 t -66.09 -86.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 17' ' ' VAL . 4.9 p -150.51 -169.98 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -155.57 136.97 14.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -122.45 150.32 42.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.07 -173.93 33.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.712 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 3.5 mm? -65.94 -170.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -85.33 -36.21 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -134.91 61.29 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . . . -147.35 124.8 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 105.08 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.5 t80 -143.61 110.2 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 77' ' ' ILE . 1.6 mt 70.26 52.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.626 ' HB2' HG22 ' A' ' 54' ' ' THR . 19.2 t-20 -131.12 126.1 34.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.81 35.93 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.405 ' HE1' HD23 ' A' ' 28' ' ' LEU . 8.5 ptm -154.05 -179.83 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.5 m-20 -128.94 72.82 81.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.1 Cg_endo -75.06 155.78 42.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 46.6 p90 -141.06 147.73 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 16' ' ' LEU . 49.8 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 34.9 tt0 -130.65 97.37 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -65.23 151.19 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 42' ' ' GLN . 7.5 m -149.02 125.41 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -142.4 86.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.0 OUTLIER 56.01 115.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' ARG . 44.7 p 32.45 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.846 ' O ' HG23 ' A' ' 38' ' ' THR . 14.2 mt-30 -135.44 145.03 46.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 4.3 p30 -149.37 121.15 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.592 ' NE2' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -133.08 120.97 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 28.9 mtpt -103.6 155.98 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.581 ' OG ' ' CD1' ' A' ' 58' ' ' TRP . 7.2 p -111.35 176.33 5.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -48.54 153.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 80' ' ' LYS . 12.1 t -86.9 111.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -58.78 85.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' VAL . 43.0 mt-10 -78.35 120.24 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.72 64.82 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.58 -31.8 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 107.16 -163.28 13.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.626 HG22 ' HB2' ' A' ' 29' ' ' ASN . 41.3 p -75.3 0.29 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.533 HG22 ' CG ' ' A' ' 20' ' ' LYS . 10.6 p -130.49 69.36 82.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.427 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.01 137.04 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.26 140.02 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.581 ' CD1' ' OG ' ' A' ' 46' ' ' SER . 24.0 m-90 -120.93 -44.59 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 49.79 30.38 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -85.98 179.87 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -145.19 124.03 12.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.695 ' CD2' HD23 ' A' ' 37' ' ' LEU . 99.0 m-85 -119.64 152.41 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 7.4 mm -124.46 141.55 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' NE2' ' A' ' 44' ' ' GLN . 69.5 m-85 -136.05 154.75 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -90.24 110.55 21.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 12' ' ' LEU . 14.9 t -93.71 112.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 68' ' ' GLU . 5.2 t -153.08 85.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' SER . 19.5 tt0 57.22 155.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 -54.95 2.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -69.72 111.55 5.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.644 ' C ' HD22 ' A' ' 96' ' ' LEU . 16.6 p -140.34 14.85 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.841 ' N ' HD22 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -175.59 146.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 37' ' ' LEU . 4.7 tp -102.35 142.36 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 115.0 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -104.98 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 15.3 mttp -122.24 116.14 23.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.94 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -83.76 135.44 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.944 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 76.4 m-85 -133.56 -171.11 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.508 ' OD1' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -123.26 129.54 51.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.92 -42.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 82' ' ' VAL . 10.4 m-20 -86.68 44.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 81' ' ' ASP . 72.9 t -158.07 150.5 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -92.83 133.06 11.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.498 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 20.6 p -38.17 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.4 pt-20 -107.36 54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 62.0 t0 -133.8 -59.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.68 121.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.944 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -92.06 115.96 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.94 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -42.54 -28.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.66 176.95 48.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.1 pp20? -150.48 165.59 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.818 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.41 151.26 32.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 22.1 m -107.24 113.3 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.923 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -110.27 97.68 32.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.887 ' C ' HD13 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.0 150.45 38.2 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.951 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -105.54 -4.41 21.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 101' ' ' VAL . 2.3 tt0 -52.81 -42.77 91.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.99 -26.23 11.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -89.43 -7.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 10.4 m-30 -92.82 -35.14 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.6 m -85.11 -36.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.507 ' HG2' HG23 ' A' ' 101' ' ' VAL . 2.9 mm-40 -83.67 -48.41 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.99 -9.74 55.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.1 p -169.02 130.01 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 99' ' ' VAL . 5.2 mm -127.9 140.4 38.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.02 171.73 17.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.611 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.5 Cg_endo -74.96 103.34 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.56 149.8 30.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.729 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -79.22 105.03 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.49 ' CD2' HG12 ' A' ' 94' ' ' ILE . 68.2 m-85 -85.62 135.68 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -50.78 126.63 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 92' ' ' ALA . 38.4 t -112.97 113.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.444 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -115.04 169.38 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 15.1 tptt -140.96 88.12 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 3.8 t0 86.12 -21.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 157.0 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.444 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -88.43 135.97 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.459 ' CD2' HD11 ' A' ' 22' ' ' LEU . 63.3 t80 -75.2 112.74 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 9.9 mmpt? -84.93 -26.59 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.414 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 156.65 -144.55 10.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.63 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 6.3 pt-20 -133.26 148.55 51.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.593 ' HB ' HG21 ' A' ' 112' ' ' VAL . 9.7 tt -120.55 124.96 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.729 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 38.2 m95 -86.73 123.81 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.2 t -151.18 143.27 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -111.04 147.91 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.923 HD11 ' CG2' ' A' ' 94' ' ' ILE . 18.3 mt -123.46 139.88 53.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.18 95.65 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.502 ' HB2' HG13 ' A' ' 99' ' ' VAL . 40.5 t80 -74.54 139.5 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -125.63 95.1 41.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.4 Cg_endo -74.94 133.18 16.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t -58.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . -76.71 -144.92 1.77 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.76 29.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t 76.3 169.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.8 m -173.09 168.06 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -177.87 106.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -167.9 104.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.24 160.52 10.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.58 154.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -158.52 169.26 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.62 -164.36 26.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 128' ' ' PHE . 18.1 Cg_endo -75.02 -172.59 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.561 1.821 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -170.34 126.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.49 -139.59 5.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.57 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 33.7 m -114.7 154.52 28.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.8 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 66' ' ' VAL . 3.9 tp -119.4 150.33 40.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.4 tt0 -129.0 120.72 26.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.672 HG21 HD22 ' A' ' 73' ' ' LEU . 52.5 t -113.35 108.21 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.4 t -98.66 104.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.427 HD11 HG21 ' A' ' 35' ' ' VAL . 41.9 tp -82.71 93.98 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.57 -86.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 57' ' ' GLU . 3.5 p -149.26 -172.2 4.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -154.32 119.27 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -109.79 159.77 16.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.55 -167.43 19.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.12 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 118' ' ' TYR . 1.5 mm? -86.29 -159.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -81.49 -51.05 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 49.6 m-20 -108.62 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.1 117.58 14.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 26' ' ' ASP . 22.7 t70 -85.67 46.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.654 ' CE2' HD11 ' A' ' 28' ' ' LEU . 19.3 t80 -91.15 118.1 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD11 ' CE2' ' A' ' 27' ' ' PHE . 5.4 mt 66.28 60.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -130.35 124.51 32.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 53.75 58.27 5.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 33' ' ' PRO . 10.6 ptm -166.34 -179.4 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.714 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.3 m-20 -126.88 71.27 74.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.99 149.15 36.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 49.0 p90 -140.21 145.24 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 77' ' ' ILE . 60.8 t -91.67 144.47 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 37.8 tt0 -123.23 95.78 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.706 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -64.27 129.88 41.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.713 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.9 m -127.7 133.99 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -139.88 89.41 2.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 64.18 -86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -118.16 0.42 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.57 126.47 40.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -128.91 130.66 47.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -148.13 124.34 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 1.4 mtpt -100.18 165.11 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -111.22 169.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -48.52 160.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.714 HG13 ' HB3' ' A' ' 32' ' ' ASP . 3.7 t -88.68 120.48 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 56' ' ' PRO . . . -68.98 85.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HG3' HG12 ' A' ' 48' ' ' VAL . 19.9 mt-10 -75.14 112.21 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.21 68.82 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.83 -31.94 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.41 -154.69 16.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.0 p -83.31 1.15 42.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -134.89 67.83 70.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -75.03 126.9 10.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 mt-10 -101.78 137.23 40.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -114.88 -39.84 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 48.25 32.1 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -87.8 179.53 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -147.39 119.97 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 85.8 m-85 -115.87 151.53 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.57 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -124.67 142.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 74.3 m-85 -144.35 130.5 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -66.43 129.52 40.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.507 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 94.0 t -110.79 149.85 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 p -175.75 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.33 145.88 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.42 -56.04 4.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.472 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 2.6 m -57.34 96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 110.363 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.624 ' C ' HD22 ' A' ' 96' ' ' LEU . 3.5 p -132.45 12.61 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.856 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 pt-20 -178.24 144.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 38' ' ' THR . 12.2 tp -101.27 146.39 27.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 116.35 31.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -106.05 104.64 14.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 22.4 mttp -109.36 116.51 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 1.004 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -83.86 130.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.868 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 45.1 m-85 -128.24 -173.12 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 82' ' ' VAL . 52.1 t0 -125.5 128.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -37.83 -31.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 79' ' ' ASP . 6.2 m-20 -62.01 -56.18 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.665 HG22 ' HB2' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -67.04 -168.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.673 ' C ' HG23 ' A' ' 84' ' ' THR . . . -151.76 49.0 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.673 HG23 ' C ' ' A' ' 83' ' ' GLY . 1.2 p 65.52 -55.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLY . 24.0 mt-10 -78.07 76.42 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.665 ' HB2' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.71 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.07 136.5 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -103.4 122.21 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.004 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -40.54 -29.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.449 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.25 176.5 48.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -150.11 167.81 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.708 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -154.08 154.32 33.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.9 m -111.15 114.53 27.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.861 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -111.28 97.36 35.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.893 ' C ' HD13 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -75.07 150.74 38.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -106.17 -3.41 21.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.664 ' O ' HG13 ' A' ' 101' ' ' VAL . 2.4 tt0 -51.65 -42.96 86.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.04 -29.58 8.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.813 HG23 HG12 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -85.21 -4.86 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 96' ' ' LEU . 11.0 m-30 -97.91 -30.05 12.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.3 m -93.68 -34.8 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HB2' HD11 ' A' ' 105' ' ' ILE . 11.0 mm-40 -81.8 -49.36 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.19 -6.47 50.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.462 ' O ' HD13 ' A' ' 105' ' ' ILE . 95.3 p -176.81 122.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.813 HG12 HG23 ' A' ' 99' ' ' VAL . 31.7 mm -116.22 140.17 26.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 168.08 25.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 18.3 Cg_endo -74.95 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.75 148.4 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.819 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -75.9 105.36 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 122' ' ' ILE . 69.9 m-85 -83.27 140.13 32.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.17 131.6 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.708 HG22 ' HB2' ' A' ' 92' ' ' ALA . 53.9 t -119.22 112.5 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.23 169.23 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 44.1 tptt -143.12 89.34 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.561 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 4.5 t0 87.05 -22.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.561 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.12 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.3 mt-10 -88.7 138.09 31.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.803 ' HE2' HD11 ' A' ' 22' ' ' LEU . 65.0 t80 -77.36 111.61 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 7.4 mmpt? -80.12 -36.48 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 167.19 -139.94 6.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.7 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 10.8 pt-20 -135.66 148.56 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.556 ' HB ' HG21 ' A' ' 112' ' ' VAL . 5.5 tt -120.72 119.99 61.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.819 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 39.3 m95 -82.27 124.53 30.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 13.3 t -152.25 149.73 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.639 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -119.23 143.47 47.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.861 HD11 ' CG2' ' A' ' 94' ' ' ILE . 16.5 mt -116.96 134.33 54.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.12 105.56 5.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.48 ' HB2' HG13 ' A' ' 99' ' ' VAL . 29.3 t80 -87.91 141.98 28.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -129.03 93.81 35.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.74 19.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.9 p -59.24 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -98.88 -148.94 24.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.5 p -133.82 150.46 51.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.0 m -77.88 109.31 11.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 61.93 131.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.3 145.15 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.77 155.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.69 97.79 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.56 167.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.17 -176.65 51.75 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.67 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 173.46 123.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.62 -142.74 7.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 88.3 m -112.66 145.45 40.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.954 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -115.04 143.83 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.903 ' N ' HD22 ' A' ' 12' ' ' LEU . 1.8 tt0 -120.69 123.76 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.954 ' CG2' HD11 ' A' ' 12' ' ' LEU . 61.6 t -115.34 111.27 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 44.9 t -100.95 90.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.66 91.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 18' ' ' SER . 54.4 t -69.09 -86.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 57' ' ' GLU . 83.8 p -154.31 -176.33 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -140.12 157.26 45.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.21 146.89 51.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.17 158.19 14.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.671 HD21 ' CD2' ' A' ' 118' ' ' TYR . 1.1 mm? -58.95 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.31 -26.86 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.38 56.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.32 121.89 9.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.1 61.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.657 ' CD1' HD13 ' A' ' 28' ' ' LEU . 34.2 t80 -122.8 122.77 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.657 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER 64.6 76.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -157.86 124.22 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 t30 54.74 49.76 17.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.9 ptm -160.94 -179.21 7.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.611 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 79.9 m-20 -137.69 74.12 46.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.99 169.52 22.45 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.9 p90 -153.01 144.68 23.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 122' ' ' ILE . 19.7 t -90.06 141.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 84' ' ' THR . 9.4 tt0 -122.3 95.65 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.921 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.4 118.16 9.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.924 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.9 m -114.15 137.28 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 3.4 t -141.68 105.93 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.95 -95.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.41 -21.62 8.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.569 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 4.6 pt20 -91.51 125.62 36.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.733 ' HB3' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -132.75 136.04 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -133.23 122.22 23.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -110.88 165.39 11.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.08 166.48 10.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -49.72 178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.611 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 5.7 m -88.73 148.86 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.861 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -77.65 82.78 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLY . 21.5 mt-10 -64.23 128.82 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.04 73.31 0.1 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.861 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 mmt -115.92 -32.87 5.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.11 -127.13 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 28' ' ' LEU . 1.4 p -105.52 12.26 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.394 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 1.2 p -141.62 75.53 21.86 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.5 Cg_endo -74.95 123.69 8.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 18' ' ' SER . 9.4 tt0 -118.6 130.13 55.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.458 ' CH2' ' HB2' ' A' ' 56' ' ' PRO . 12.4 m-90 -109.04 -50.24 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 61.95 40.75 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -98.08 -173.75 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m -147.81 126.93 12.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.616 ' CD2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -125.31 134.19 52.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 5.1 mm -106.77 155.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 42' ' ' GLN . 19.6 m-85 -147.71 -178.82 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -122.64 100.03 6.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 t -82.4 152.9 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 p -145.75 -86.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -142.5 154.38 44.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.19 -55.3 2.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.8 m -66.32 95.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 p -123.87 27.68 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.7 OUTLIER -164.71 155.92 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 38' ' ' THR . 6.8 tp -117.46 145.23 44.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -106.63 122.92 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -117.96 104.92 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 18.1 mttp -107.2 127.61 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.724 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -86.74 137.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.049 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 96.3 m-85 -143.71 140.1 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.682 ' O ' HG12 ' A' ' 82' ' ' VAL . 32.1 t0 -65.52 167.86 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -73.63 -4.36 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.18 57.16 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.6 p -161.61 166.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.519 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -119.23 137.47 12.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.502 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 62.9 p -33.62 -37.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' GLY . 43.6 mt-10 -104.47 65.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 8.1 t0 -147.88 -68.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.25 123.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.049 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -102.79 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.724 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -41.39 -29.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -176.85 175.52 47.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -149.0 166.16 29.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.37 142.84 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.5 m -97.81 116.62 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.992 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.6 mt -110.38 97.81 33.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -75.0 136.07 19.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.578 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 7.8 mt -97.39 4.32 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.4 tt0 -62.03 -40.68 70.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.665 ' O ' HD11 ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.0 -23.51 13.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.776 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -90.6 -2.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 14.1 m-30 -100.47 -33.78 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.5 m -90.65 -29.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.87 -43.12 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.55 -12.18 66.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.569 ' O ' HD13 ' A' ' 105' ' ' ILE . 4.2 m -165.19 131.48 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 99' ' ' VAL . 42.3 mm -125.43 138.73 32.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.482 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 m -116.81 151.54 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.89 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -86.57 110.97 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' HG12 ' A' ' 94' ' ' ILE . 74.8 m-85 -88.09 126.73 35.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.2 OUTLIER -39.92 123.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.65 HG12 ' HB2' ' A' ' 119' ' ' LYS . 15.1 t -104.88 98.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -105.44 166.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.1 OUTLIER -141.99 90.63 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.562 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 3.4 t70 84.34 -22.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.12 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.4 mt-10 -86.29 135.69 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.671 ' CD2' HD21 ' A' ' 22' ' ' LEU . 33.3 t80 -77.19 110.96 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.65 ' HB2' HG12 ' A' ' 112' ' ' VAL . 10.9 mmpt? -86.5 -23.04 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.552 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 153.29 -123.7 1.47 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.53 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.9 pt-20 -156.27 159.35 38.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 35' ' ' VAL . 19.4 tt -127.07 125.07 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.89 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 34.8 m95 -88.6 123.58 33.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.481 HG23 ' C ' ' A' ' 123' ' ' TRP . 48.8 t -155.4 132.63 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.67 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -100.21 145.41 28.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.992 HD11 ' CG2' ' A' ' 94' ' ' ILE . 16.2 mt -121.37 142.99 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.8 m -148.26 100.01 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.518 ' HB2' HG13 ' A' ' 99' ' ' VAL . 34.5 t80 -79.66 155.83 27.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -142.26 91.33 7.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.9 t -80.03 84.85 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -112.78 -146.32 9.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 68.4 m -134.72 90.05 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.4 162.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.64 -59.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.58 126.98 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.16 -170.7 26.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -129.19 138.95 52.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -136.02 162.95 31.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.59 166.97 17.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.87 128.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.16 -138.76 5.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.9 m -109.71 153.81 23.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.839 HD11 HD22 ' A' ' 96' ' ' LEU . 1.2 tp -127.06 145.64 50.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.489 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -116.68 128.45 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG11 ' HG ' ' A' ' 37' ' ' LEU . 85.9 t -118.87 107.36 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 39.0 t -99.75 90.88 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD21 ' HB ' ' A' ' 35' ' ' VAL . 22.1 tp -72.49 85.22 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 18' ' ' SER . 67.2 t -62.52 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.469 ' HB2' ' CB ' ' A' ' 57' ' ' GLU . 30.8 t -155.06 -169.4 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -155.66 139.7 16.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 55' ' ' THR . 4.7 mttt -123.2 144.27 49.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.4 -149.59 21.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.645 HD21 ' HE2' ' A' ' 118' ' ' TYR . 17.4 mt -113.22 -179.71 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -11.71 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.65 42.07 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.58 115.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.7 t0 -77.49 104.05 7.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.1 t80 -141.3 119.72 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.84 HD13 ' CG ' ' A' ' 56' ' ' PRO . 50.0 mt 71.36 35.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' MET . 4.0 t-20 -59.02 -151.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -68.32 68.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.491 ' C ' ' HD3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -137.71 -173.77 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.556 ' CA ' ' O ' ' A' ' 48' ' ' VAL . 18.4 m-20 -121.08 71.95 23.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.699 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.94 172.97 15.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 78' ' ' PHE . 19.4 p90 -162.45 139.76 8.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.537 HG23 ' CH2' ' A' ' 58' ' ' TRP . 55.6 t -89.88 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' CB ' ' HG2' ' A' ' 45' ' ' LYS . 35.5 tt0 -128.6 98.4 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -68.57 157.09 36.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.749 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.6 m -153.38 134.36 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -142.04 91.13 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.26 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER 66.26 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 p -122.75 42.39 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' CYS . 3.7 pt20 -153.45 121.79 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.551 ' HB3' HG23 ' A' ' 38' ' ' THR . 1.2 p30 -127.7 149.66 50.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -144.62 122.14 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG2' ' CB ' ' A' ' 36' ' ' GLN . 27.0 mtmm -104.93 155.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.476 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -111.08 -175.26 2.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 46' ' ' SER . 9.5 m-20 -48.0 177.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.631 ' O ' ' C ' ' A' ' 49' ' ' ALA . 27.8 m -102.98 39.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 20.08 73.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' A' ' 51' ' ' GLY . 20.3 mt-10 -61.32 111.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 34.25 97.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.476 ' HG2' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -116.22 -34.38 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 55' ' ' THR . . . 102.51 76.78 1.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.52 ' C ' HG23 ' A' ' 55' ' ' THR . 16.7 p 40.75 27.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.52 HG23 ' C ' ' A' ' 54' ' ' THR . 36.9 p -157.22 73.61 4.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.84 ' CG ' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 105.33 2.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 5.2 tt0 -102.16 140.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.584 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 24.0 m-90 -121.22 -51.51 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 62.04 33.32 17.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -172.97 3.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -147.0 120.82 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CD2' HD23 ' A' ' 37' ' ' LEU . 45.7 m-85 -124.48 116.25 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 15.4 mm -83.28 146.21 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HB2' HD23 ' A' ' 12' ' ' LEU . 49.7 m-85 -137.07 126.2 24.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -67.34 120.07 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 12' ' ' LEU . 98.7 t -104.84 140.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -153.86 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.47 143.93 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.05 -41.17 3.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.409 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 6.8 m -69.23 88.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -115.36 -15.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.3 pt-20 -145.31 159.83 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 38' ' ' THR . 16.2 tp -115.08 145.18 42.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -111.06 125.49 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.75 106.87 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 7.6 mttp -105.94 126.45 52.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 1.008 HG22 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mp -84.47 142.02 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CE2' ' HA ' ' A' ' 84' ' ' THR . 87.9 m-85 -141.84 -170.83 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.489 ' HB2' HG21 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -131.96 140.95 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 22.1 tttt -42.3 -38.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 82' ' ' VAL . 2.0 m-20 -106.7 71.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.641 HG12 ' N ' ' A' ' 83' ' ' GLY . 6.1 t -153.79 -83.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.641 ' N ' HG12 ' A' ' 82' ' ' VAL . . . 123.59 130.56 3.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.599 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 21.0 p -46.72 -27.68 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ASP . 2.1 mt-10 -90.89 -48.79 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' GLU . 4.2 t0 -34.43 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' O ' HG11 ' A' ' 82' ' ' VAL . 34.4 t70 -174.45 156.16 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -110.47 117.6 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.008 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -48.72 -25.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.94 47.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -155.95 167.04 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.679 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.28 143.98 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.3 m -104.13 113.51 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.044 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.4 mt -108.55 101.17 41.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.01 139.94 24.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.839 HD22 HD11 ' A' ' 12' ' ' LEU . 11.5 mt -99.19 10.71 40.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.715 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -68.83 -38.17 11.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -74.95 -25.4 12.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 96' ' ' LEU . 1.4 p -86.35 -5.57 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.3 m-30 -96.02 -30.83 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.3 m -95.12 -32.54 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.14 -38.57 17.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.13 -7.11 81.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -175.14 123.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.506 HG23 ' HD2' ' A' ' 106' ' ' PRO . 37.4 mm -112.55 137.27 21.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.29 2.68 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.72 150.55 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.02 101.8 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CD2' HG12 ' A' ' 94' ' ' ILE . 73.6 m-85 -78.45 138.38 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.87 126.48 16.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 92' ' ' ALA . 24.7 t -112.58 112.41 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.458 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.86 169.86 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 34.9 tptt -141.58 88.99 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 1.9 t70 86.7 -22.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.573 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.26 -20.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.458 ' C ' HG12 ' A' ' 113' ' ' VAL . 1.2 mt-10 -88.1 138.04 31.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.241 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.645 ' HE2' HD21 ' A' ' 22' ' ' LEU . 67.9 t80 -76.89 118.01 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.423 ' HB2' HG12 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -87.94 -54.14 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . -171.66 -126.37 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.756 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 7.7 pt-20 -150.38 151.14 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.487 HG13 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tt -121.28 126.21 74.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.705 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 40.0 m95 -89.19 121.93 31.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 123' ' ' TRP . 31.4 t -152.48 140.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.629 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -112.71 139.17 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.044 HD11 ' CG2' ' A' ' 94' ' ' ILE . 6.2 mt -115.16 134.3 55.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -136.76 107.41 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -86.95 147.98 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -137.77 91.3 13.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 144.38 30.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.6 t -68.25 87.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.969 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.48 -145.58 0.3 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.81 2.34 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.0 p -39.82 156.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.64 -53.32 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 143.59 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.71 154.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.49 -147.51 22.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -166.05 88.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.37 163.97 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.35 -161.23 31.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -171.69 136.42 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.561 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.05 -145.9 12.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 30.5 m -114.27 148.62 37.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.914 HD22 ' H ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -115.6 145.91 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.914 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -122.99 121.81 37.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.876 ' CG2' HD11 ' A' ' 12' ' ' LEU . 86.8 t -111.31 111.17 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.825 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 56.3 t -100.79 88.31 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 35' ' ' VAL . 14.2 tp -69.87 92.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 18' ' ' SER . 38.3 t -68.45 -89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.565 ' N ' HG12 ' A' ' 17' ' ' VAL . 40.5 p -157.6 -177.73 6.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -137.34 148.37 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.63 ' CG ' HG22 ' A' ' 55' ' ' THR . 5.0 mttm -130.16 152.74 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.37 172.41 19.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.772 HD11 ' HE2' ' A' ' 118' ' ' TYR . 2.9 mm? -70.36 -168.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -39.04 20.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -111.08 60.48 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -160.5 118.42 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' CG ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.51 -49.95 67.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.674 ' CG ' HD22 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 52.45 -127.64 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.674 HD22 ' CG ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -66.2 -3.27 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.575 ' HA ' HG22 ' A' ' 54' ' ' THR . 4.8 t-20 -32.84 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.05 72.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.453 ' SD ' ' HA ' ' A' ' 28' ' ' LEU . 7.8 mtp -147.56 178.78 8.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.664 ' HB3' HG13 ' A' ' 48' ' ' VAL . 11.5 m-20 -135.4 57.55 20.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 18.1 Cg_endo -75.03 166.95 28.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 13.5 p90 -149.12 134.27 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 77' ' ' ILE . 47.5 t -87.87 145.34 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -125.16 94.31 4.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -63.89 131.07 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.769 ' O ' HD12 ' A' ' 73' ' ' LEU . 64.7 m -128.59 138.78 52.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 70' ' ' THR . 42.1 t -142.69 115.18 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 108.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 55.92 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 47.9 p -136.79 37.89 2.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.488 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 2.8 pt20 -139.28 113.89 9.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 1.2 p-10 -111.27 154.01 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -152.71 121.76 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 5.1 mtmt -90.11 156.93 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 t -111.01 161.95 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -48.34 156.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 32' ' ' ASP . 6.0 t -81.14 128.8 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -70.37 76.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -68.98 121.83 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.83 77.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.693 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 12.2 mmt -115.45 -31.76 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.71 -144.22 16.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.575 HG22 ' HA ' ' A' ' 29' ' ' ASN . 9.1 p -85.61 9.1 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.63 HG22 ' CG ' ' A' ' 20' ' ' LYS . 16.7 p -140.99 81.53 16.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.548 ' O ' ' CZ3' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.03 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 5.5 tt0 -94.31 150.26 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' O ' ' A' ' 56' ' ' PRO . 22.2 m-90 -126.33 -51.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 25.2 m-20 61.35 38.52 16.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.39 -173.86 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 m -151.7 121.78 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.392 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.767 ' CG ' HD23 ' A' ' 37' ' ' LEU . 34.4 m-85 -118.52 143.39 46.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 9.5 mm -114.66 147.82 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.649 ' HD2' HD12 ' A' ' 12' ' ' LEU . 34.7 m-85 -140.74 164.36 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 109.27 21.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.2 145.07 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -145.85 -67.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' NH1' ' A' ' 40' ' ' ARG . 8.4 pt-20 -161.89 151.12 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.78 -54.66 4.36 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.643 HG21 ' SG ' ' A' ' 39' ' ' CYS . 1.6 m -69.93 107.12 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 p -127.58 17.92 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.24 158.13 18.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 38' ' ' THR . 5.9 tp -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -103.03 123.4 46.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 91' ' ' GLU . . . -119.8 110.78 17.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 27.2 mttp -114.75 137.61 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.665 HG22 ' CG1' ' A' ' 89' ' ' VAL . 4.8 mp -101.75 134.28 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 89.9 m-85 -137.4 146.41 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.881 ' HB3' HG13 ' A' ' 82' ' ' VAL . 41.7 t0 -76.74 135.67 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -46.67 -24.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -78.35 -40.0 37.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.881 HG13 ' HB3' ' A' ' 79' ' ' ASP . 1.2 m -84.6 -176.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -130.83 151.58 19.64 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 24.4 p -38.23 -32.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' GLY . 5.1 pt-20 -118.64 84.42 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.92 -71.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -158.89 86.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HA ' ' CD1' ' A' ' 78' ' ' PHE . . . -51.0 151.13 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.665 ' CG1' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -100.63 -10.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.531 ' O ' HD12 ' A' ' 77' ' ' ILE . . . 169.02 156.81 10.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -147.32 161.37 41.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.655 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.51 145.16 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.8 m -98.61 116.23 30.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.909 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.7 mt -109.49 99.61 37.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.29 18.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 8.9 mt -97.16 7.84 45.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.684 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 2.3 tt0 -64.73 -39.6 40.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.03 -26.03 11.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -86.56 -1.75 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 14.8 m-30 -101.75 -30.76 11.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 97' ' ' GLU . 2.7 m -95.21 -29.34 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.98 -46.92 8.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.35 -13.86 56.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.7 m -169.58 124.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 99' ' ' VAL . 36.5 mm -114.29 139.08 23.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 168.89 23.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 101.91 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -113.92 150.94 32.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.374 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.831 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.61 102.36 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.492 ' O ' HG23 ' A' ' 112' ' ' VAL . 74.6 m-85 -79.81 134.16 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -48.32 124.05 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.657 HG12 ' HB2' ' A' ' 119' ' ' LYS . 51.9 t -109.76 115.02 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -117.76 168.25 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 8.1 tppt? -147.96 89.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 8.7 t0 89.16 -25.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.51 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 1.2 mt-10 -83.94 136.1 34.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.772 ' HE2' HD11 ' A' ' 22' ' ' LEU . 81.7 t80 -77.72 97.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.657 ' HB2' HG12 ' A' ' 112' ' ' VAL . 6.1 mmtt -61.35 -45.23 95.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.467 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 169.78 -126.78 1.4 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.831 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 9.4 pt-20 -145.73 143.19 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.586 ' HB ' HG21 ' A' ' 112' ' ' VAL . 4.8 tt -114.28 123.12 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.745 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 45.2 m95 -85.77 122.84 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 123' ' ' TRP . 26.0 t -153.12 139.27 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.825 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -109.07 139.57 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.909 HD11 ' CG2' ' A' ' 94' ' ' ILE . 12.3 mt -114.61 133.86 55.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.74 108.83 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.46 ' HB2' HG13 ' A' ' 99' ' ' VAL . 32.4 t80 -90.74 154.98 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -139.71 90.98 10.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 142.2 27.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -95.86 58.29 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.55 -158.93 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.97 3.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.2 m 61.08 117.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.6 p -68.31 152.71 45.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 65.78 79.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.57 165.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.14 -73.84 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -129.85 -59.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 p -178.01 119.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.13 -163.4 41.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -172.8 134.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.4 -146.05 12.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.588 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 24.2 m -114.54 148.93 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.936 HD11 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -116.26 144.51 44.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.886 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -121.79 122.45 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.936 ' CG2' HD11 ' A' ' 12' ' ' LEU . 57.9 t -112.17 112.57 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.91 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 47.5 t -102.07 87.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.7 HD11 HG21 ' A' ' 35' ' ' VAL . 17.7 tp -69.95 91.96 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 18' ' ' SER . 72.1 t -70.68 -92.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.495 ' N ' HG12 ' A' ' 17' ' ' VAL . 5.6 p -148.66 -173.99 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -145.24 145.91 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG2' HG22 ' A' ' 55' ' ' THR . 6.5 mttt -133.49 144.19 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.29 -172.19 43.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 118' ' ' TYR . 2.4 mm? -69.35 -169.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -69.22 -47.79 63.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 5.7 t70 -126.02 57.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . . . -127.76 107.93 10.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.53 78.32 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.851 ' CE2' HD11 ' A' ' 28' ' ' LEU . 18.4 t80 -120.08 112.1 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.851 HD11 ' CE2' ' A' ' 27' ' ' PHE . 7.4 mt 78.51 56.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.47 ' HB2' HG22 ' A' ' 54' ' ' THR . 40.6 t-20 -138.76 135.38 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 70.67 26.46 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.7 ptm -151.84 -175.35 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.595 ' HB3' HG23 ' A' ' 48' ' ' VAL . 18.4 m-20 -135.03 73.07 66.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.2 Cg_endo -75.03 156.04 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.679 ' CD2' ' CD ' ' A' ' 45' ' ' LYS . 30.5 p90 -136.74 145.64 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 16' ' ' LEU . 38.1 t -91.21 142.43 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -126.96 106.78 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.786 ' HG ' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -80.83 144.38 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.928 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -133.87 141.24 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -142.49 87.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.784 ' C ' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER 31.88 97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.784 HG23 ' C ' ' A' ' 40' ' ' ARG . 1.4 p 75.09 -22.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' A' ' 40' ' ' ARG . 34.6 mt-30 -91.21 139.23 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.07 128.75 15.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.582 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 48.6 mt-30 -139.81 120.38 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.679 ' CD ' ' CD2' ' A' ' 34' ' ' TYR . 6.4 ttpp -120.08 156.87 30.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -110.84 166.48 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -49.51 178.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 32' ' ' ASP . 2.4 m -90.13 140.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 56' ' ' PRO . . . -74.93 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 1.8 mm-40 -91.09 141.27 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.72 57.66 3.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.431 ' HB3' ' HA ' ' A' ' 56' ' ' PRO . 9.7 mmt -116.35 -32.85 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 96.45 -148.7 19.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 29' ' ' ASN . 1.4 p -81.42 6.86 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 20' ' ' LYS . 27.4 p -135.94 80.6 41.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.01 135.48 19.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 11.8 tt0 -118.07 173.18 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.557 ' C ' ' OD1' ' A' ' 59' ' ' ASN . 22.6 m-90 -156.48 -38.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.576 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 47.25 33.25 2.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 8.2 mm-40 -90.52 166.18 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -135.05 122.21 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.664 ' CD2' HD23 ' A' ' 37' ' ' LEU . 98.6 m-85 -116.4 147.44 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 6.7 mm -118.27 142.33 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 39' ' ' CYS . 37.0 m-85 -132.28 -172.31 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -128.53 123.89 34.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.7 t -106.63 147.85 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.3 p -157.53 -72.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -145.73 138.43 25.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.41 -54.13 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.7 m -60.79 100.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 p -131.74 6.96 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.6 153.13 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.928 HD12 ' O ' ' A' ' 38' ' ' THR . 5.7 tp -112.21 143.08 43.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -104.94 129.51 53.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 106.18 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 29.6 mttp -110.01 123.17 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.741 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.1 mp -85.07 139.45 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.093 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 98.5 m-85 -143.68 144.08 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -76.18 136.29 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 32' ' ' ASP . 4.7 ptmt -41.44 -34.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 2.1 t0 -90.27 45.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 81' ' ' ASP . 85.6 t -157.52 152.43 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -102.16 138.41 13.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' GLY . 10.2 p -36.9 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 83' ' ' GLY . 39.3 mt-10 -109.66 61.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 4.6 t0 -141.73 -72.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.08 118.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.093 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -91.35 115.32 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.741 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -43.78 -27.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.84 173.77 46.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -148.75 166.89 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.721 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -153.97 140.56 18.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.4 m -96.46 115.98 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.054 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.5 mt -109.29 99.67 37.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.621 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 11.6 mt -97.31 7.63 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.686 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.1 tt0 -65.1 -39.5 37.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 96' ' ' LEU . 1.3 p -79.66 -8.63 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 16.5 m-30 -96.05 -30.08 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 97' ' ' GLU . 3.2 m -93.36 -33.44 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 101' ' ' VAL . 4.2 mm-40 -86.57 -33.63 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.91 -8.4 76.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.1 p -175.96 131.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 106' ' ' PRO . 3.9 mm -125.62 140.13 35.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 173.27 14.79 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 102.83 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.01 151.7 33.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.885 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -82.26 110.2 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 112' ' ' VAL . 70.5 m-85 -87.2 136.69 32.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -49.12 120.24 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 92' ' ' ALA . 27.5 t -107.59 110.36 31.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.46 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -113.04 169.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 5.6 tptp -143.55 89.18 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.563 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 2.2 t70 86.61 -22.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.13 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.46 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -88.42 138.33 31.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.669 ' CE2' HD11 ' A' ' 22' ' ' LEU . 53.0 t80 -77.27 113.07 14.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.515 ' HB2' HG12 ' A' ' 112' ' ' VAL . 5.3 mmpt? -83.58 -30.65 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.565 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 161.06 -137.62 5.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.885 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 5.1 pt-20 -138.95 148.56 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.564 ' HB ' HG21 ' A' ' 112' ' ' VAL . 7.9 tt -118.77 123.7 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.654 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 42.7 m95 -86.34 123.32 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.439 HG23 ' C ' ' A' ' 123' ' ' TRP . 30.1 t -153.33 134.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.91 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -101.7 143.4 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.054 HD11 ' CG2' ' A' ' 94' ' ' ILE . 51.5 mt -120.2 135.56 54.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.72 103.47 4.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.496 ' HB2' HG13 ' A' ' 99' ' ' VAL . 32.6 t80 -86.37 153.4 21.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -138.69 90.4 12.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.13 38.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t -84.92 83.21 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -152.44 -148.96 4.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.544 1.153 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 77.85 3.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.568 1.825 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.99 122.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.8 -65.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.29 157.77 42.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -141.37 170.43 15.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.01 139.06 2.67 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.91 161.93 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 p -159.71 171.26 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.96 -165.11 33.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.03 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -168.39 141.1 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.05 -164.04 28.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.407 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -102.32 155.76 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.368 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.968 HD11 HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -114.19 139.78 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.603 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -126.31 109.46 12.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.994 HG21 HD22 ' A' ' 73' ' ' LEU . 30.1 t -98.28 141.23 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 77.4 t -128.84 92.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ASN . 53.1 tp -67.25 94.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.687 HG21 ' HB3' ' A' ' 107' ' ' PRO . 93.7 t -74.33 -86.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.452 ' CB ' ' HG3' ' A' ' 57' ' ' GLU . 2.0 p -144.51 -178.06 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.575 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -150.4 118.27 6.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.86 ' HG3' HG22 ' A' ' 55' ' ' THR . 1.3 mttt -97.64 144.01 27.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.82 -153.5 24.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.888 HD11 ' CD2' ' A' ' 118' ' ' TYR . 95.7 mt -119.53 -173.96 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -17.4 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 12.0 t70 -124.76 50.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . . . -166.18 99.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -54.2 90.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ALA . 21.8 t80 -143.73 121.58 11.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' CG ' ' A' ' 33' ' ' PRO . 14.3 mt 64.26 53.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 31' ' ' MET . 29.2 t-20 -124.89 119.62 29.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 44.06 66.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.529 ' CE ' ' OD1' ' A' ' 79' ' ' ASP . 10.4 ptm -162.3 -174.62 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.71 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.5 m-20 -127.65 71.16 77.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.603 ' CG ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 137.92 22.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 42.8 p90 -130.7 138.36 49.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG22 HG13 ' A' ' 77' ' ' ILE . 95.3 t -91.3 151.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 45' ' ' LYS . 35.4 tt0 -131.32 99.28 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.876 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -65.91 135.43 54.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.73 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.1 m -128.04 135.89 50.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.617 ' SG ' HG21 ' A' ' 70' ' ' THR . 49.0 t -141.06 97.52 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.39 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' CYS . 11.6 p -134.92 9.29 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -100.43 114.39 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 132.46 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -147.48 123.14 10.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 12.5 mtpt -94.97 163.22 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -112.34 168.21 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.11 151.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.71 HG13 ' HB3' ' A' ' 32' ' ' ASP . 5.0 t -81.46 115.45 24.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -65.87 84.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG3' HG12 ' A' ' 48' ' ' VAL . 29.8 mt-10 -73.37 122.38 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 37.18 75.17 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.474 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 8.8 mmt -115.1 -32.05 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.04 -143.3 15.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 28' ' ' LEU . 69.7 p -99.13 18.08 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.86 HG22 ' HG3' ' A' ' 20' ' ' LYS . 2.4 p -150.02 65.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 18.2 Cg_endo -75.02 144.85 30.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.452 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 51.8 mp0 -119.66 140.7 50.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.438 ' CE3' ' HG ' ' A' ' 16' ' ' LEU . 24.2 m-90 -120.95 -43.62 2.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 51.31 27.38 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 20.3 mm-40 -85.31 174.28 9.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.0 m -137.85 134.37 35.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.876 ' CD2' HD23 ' A' ' 37' ' ' LEU . 67.5 m-85 -133.56 130.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.2 mm -101.66 146.58 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 39' ' ' CYS . 65.1 m-85 -148.39 122.23 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -63.29 137.75 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 3.2 t -121.85 158.83 25.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -161.17 -55.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -169.55 157.31 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.4 -53.25 4.45 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.617 HG21 ' SG ' ' A' ' 39' ' ' CYS . 1.3 m -77.72 110.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.2 p -137.57 10.37 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 4.4 pt-20 -154.4 137.09 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.994 HD22 HG21 ' A' ' 14' ' ' VAL . 7.3 tp -95.23 143.01 26.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.34 118.98 37.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.37 100.29 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.0 mttp -99.66 120.39 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.98 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -88.25 134.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.19 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 97.6 m-85 -133.61 -153.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 82' ' ' VAL . 4.1 m-20 -150.1 129.81 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HD2' HG11 ' A' ' 48' ' ' VAL . 1.6 pttt -46.31 -23.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 79' ' ' ASP . 76.3 m-20 -78.05 -43.36 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.764 HG23 ' N ' ' A' ' 83' ' ' GLY . 3.8 m -79.19 -142.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.764 ' N ' HG23 ' A' ' 82' ' ' VAL . . . -165.02 153.62 23.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 61.4 p -39.03 -65.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 86' ' ' ASP . 12.5 pt-20 -66.89 -53.77 28.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' A' ' 85' ' ' GLU . 2.5 m-20 -24.32 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -172.45 139.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.19 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . . . -103.78 128.66 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.98 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -51.74 -22.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.24 -177.46 44.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -152.7 170.11 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.796 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.78 154.78 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.5 m -110.77 111.73 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.6 HG22 HD11 ' A' ' 126' ' ' LEU . 3.6 mt -108.79 100.27 38.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.2 Cg_endo -74.96 134.89 18.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.633 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -97.56 15.18 24.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.791 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 0.8 OUTLIER -74.23 -32.92 1.54 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 -25.53 11.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.911 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.5 -25.83 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 8.0 m-30 -66.49 -32.98 74.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.3 m -94.99 -51.31 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.525 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.5 mm-40 -66.4 -43.89 84.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 96.77 -11.38 66.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 p -167.22 129.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.911 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.5 mm -129.22 140.28 38.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.687 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.3 Cg_endo -75.03 109.1 2.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.545 1.813 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.06 143.88 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.859 ' HB2' ' NE1' ' A' ' 123' ' ' TRP . . . -70.92 100.98 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.522 ' CD2' HG12 ' A' ' 94' ' ' ILE . 51.4 m-85 -85.88 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -50.42 128.65 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.5 t -112.23 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.546 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -109.48 166.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -143.96 96.09 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 21.6 t0 85.21 -27.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.4 OUTLIER 157.69 -20.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.546 ' C ' HG12 ' A' ' 113' ' ' VAL . 2.6 mm-40 -87.36 152.55 22.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.888 ' CD2' HD11 ' A' ' 22' ' ' LEU . 81.8 t80 -90.06 119.24 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -90.84 -46.59 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -178.53 -135.8 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.437 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 8.3 pt-20 -141.15 156.71 45.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.575 HG13 ' HB2' ' A' ' 19' ' ' ALA . 14.6 tt -128.19 121.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.859 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 35.3 m95 -85.9 116.59 24.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.03 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.9 t -142.35 143.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.488 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -124.82 136.31 53.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.799 HD23 HG22 ' A' ' 14' ' ' VAL . 1.7 mt -109.69 159.32 17.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.98 73.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 46.1 t80 -50.31 149.56 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.72 92.17 27.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 p -70.11 87.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -130.44 -144.0 5.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.5 p -159.95 166.35 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -60.01 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.49 174.82 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m 56.79 162.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.04 134.02 3.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.27 94.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 110.09 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -178.17 158.43 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.85 -162.99 33.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' C ' ' CD2' ' A' ' 9' ' ' HIS . 0.5 OUTLIER 175.21 150.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' CD2' ' A' ' 9' ' ' HIS . . . 146.2 -153.19 25.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.43 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 51.5 m -100.9 156.25 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 96' ' ' LEU . 3.1 tp -127.8 136.84 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 63' ' ' ILE . 1.8 tt0 -113.76 107.47 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.63 HG11 HD22 ' A' ' 37' ' ' LEU . 79.9 t -96.71 117.0 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.43 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD21 ' HB ' ' A' ' 35' ' ' VAL . 56.7 tp -69.21 86.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.66 HG21 ' CB ' ' A' ' 107' ' ' PRO . 68.0 t -60.83 -90.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' HG12 ' A' ' 17' ' ' VAL . 80.5 p -156.17 -176.41 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -149.37 157.68 43.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.794 ' CB ' HG22 ' A' ' 55' ' ' THR . 1.0 OUTLIER -150.85 148.63 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.47 -169.13 35.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.782 HD11 ' HE2' ' A' ' 118' ' ' TYR . 1.6 mm? -83.85 -164.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.4 pt-20 -72.82 -52.5 14.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 40.2 t0 -111.47 61.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.39 106.17 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.72 62.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.64 ' CD1' HD13 ' A' ' 28' ' ' LEU . 28.5 t80 -121.63 128.78 52.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER 65.83 18.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' MET . 1.7 t-20 -59.96 -146.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.43 74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' ASN . 8.9 ptm -154.92 -178.23 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 6.9 m-20 -131.35 67.33 80.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -74.98 154.96 42.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 38.2 p90 -133.08 147.42 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.915 HG22 HG13 ' A' ' 77' ' ' ILE . 34.5 t -92.3 147.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 31.2 tt0 -127.57 96.42 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.942 HD22 HD21 ' A' ' 73' ' ' LEU . 15.8 mt -63.15 154.05 32.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 42' ' ' GLN . 2.4 m -155.69 123.18 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -142.57 85.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 108.319 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' THR . 0.0 OUTLIER 55.86 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.1 t 33.42 40.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 38' ' ' THR . 11.6 mt-30 -135.74 144.76 46.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' LEU . 2.0 p30 -149.53 126.34 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' LEU . 74.1 mt-30 -143.03 122.07 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HD3' ' CG2' ' A' ' 84' ' ' THR . 15.4 mtmm -104.11 158.14 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.35 169.24 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -48.61 147.55 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 24.0 t -71.65 122.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 32' ' ' ASP . . . -63.73 78.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' VAL . 28.2 mt-10 -73.81 121.67 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.7 69.05 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -109.55 -32.33 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.036 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 104.52 -169.33 17.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 0.735 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.794 HG22 ' CB ' ' A' ' 20' ' ' LYS . 3.0 p -127.99 72.72 79.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.467 ' HD2' HD23 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 129.3 12.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.424 1.75 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 3.4 tt0 -111.07 139.49 46.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.77 -42.76 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' ND2' ' HG2' ' A' ' 57' ' ' GLU . 32.7 m-20 47.1 32.69 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -171.85 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -149.95 127.47 11.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.764 ' CD2' HD11 ' A' ' 37' ' ' LEU . 80.6 m-85 -130.95 129.16 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.503 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 4.5 mm -98.36 140.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' HB2' HD23 ' A' ' 12' ' ' LEU . 40.5 m-85 -135.46 124.79 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -67.07 119.53 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 16.5 t -106.7 147.25 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -178.47 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -168.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.891 ' O ' HG23 ' A' ' 71' ' ' THR . . . -58.71 -15.63 27.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 m -38.99 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 69' ' ' GLY . 11.9 p -125.86 27.1 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 0.7 OUTLIER -168.35 153.66 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.942 HD21 HD22 ' A' ' 37' ' ' LEU . 27.7 tp -114.16 146.59 40.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 113.1 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.01 105.96 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG2' ' CB ' ' A' ' 91' ' ' GLU . 14.6 mttp -108.51 136.63 47.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.915 HG13 HG22 ' A' ' 35' ' ' VAL . 5.2 mp -104.11 133.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.923 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 77.4 m-85 -132.69 -171.53 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 82' ' ' VAL . 5.4 t70 -116.17 132.08 56.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.27 -36.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 82' ' ' VAL . 1.6 t0 -92.24 45.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 81' ' ' ASP . 68.9 t -157.68 153.26 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -99.5 135.99 12.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.44 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 15.8 p -38.07 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.392 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLY . 55.1 mt-10 -106.82 56.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 20.8 t0 -136.8 -67.97 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -174.41 114.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.923 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -85.43 135.68 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.892 ' CG2' HG22 ' A' ' 77' ' ' ILE . 2.0 m -60.47 -38.92 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' HA2' ' CE ' ' A' ' 114' ' ' LYS . . . -163.73 169.25 38.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -149.86 161.0 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.256 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -150.38 155.24 39.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.7 m -112.29 111.65 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.367 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.018 HG22 HD11 ' A' ' 126' ' ' LEU . 2.6 mp -105.99 104.06 47.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -74.95 137.48 21.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 4.8 mt -96.81 14.91 23.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.797 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -73.38 -32.56 1.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.02 -27.43 10.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.896 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -91.48 -25.21 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.693 ' HE2' HG22 ' A' ' 71' ' ' THR . 6.3 m-30 -67.51 -22.69 65.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 97' ' ' GLU . 1.8 m -106.77 -45.44 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 1.9 mm-40 -75.78 -36.3 59.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 86.33 -9.35 70.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.2 p -164.86 126.45 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.896 ' CG1' HG13 ' A' ' 99' ' ' VAL . 3.7 mm -130.17 140.95 40.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 166.94 28.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.66 ' CB ' HG21 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.04 112.36 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.76 144.5 43.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.752 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -71.16 96.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 94' ' ' ILE . 50.2 m-85 -79.01 138.99 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.5 OUTLIER -54.33 121.8 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.707 HG22 ' HB2' ' A' ' 92' ' ' ALA . 25.3 t -108.71 111.75 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -112.28 173.48 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 14.7 tppt? -154.03 91.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.606 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 11.6 t0 90.4 -27.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER 157.33 -21.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 113' ' ' VAL . 3.1 mm-40 -86.78 151.01 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.782 ' HE2' HD11 ' A' ' 22' ' ' LEU . 63.9 t80 -86.64 106.98 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' HB2' HG12 ' A' ' 112' ' ' VAL . 4.7 mmpt? -74.7 -43.12 56.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.4 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 170.96 -141.75 6.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.752 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 4.7 pt-20 -131.98 153.01 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 19' ' ' ALA . 7.7 tt -129.19 124.64 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.498 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 34.9 m95 -86.26 126.44 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 123' ' ' TRP . 6.2 t -151.81 132.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.526 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -116.91 133.7 55.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.018 HD11 HG22 ' A' ' 94' ' ' ILE . 5.5 mt -107.3 152.95 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -142.39 63.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 100' ' ' PHE . 65.6 t80 -55.72 138.02 48.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -126.49 96.4 36.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.2 Cg_endo -75.06 143.25 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 63.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . 57.55 157.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 156.59 43.07 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.38 77.74 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -121.6 -59.46 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.9 138.4 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -165.49 138.73 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 -67.6 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.9 p 50.08 86.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t 58.16 159.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.97 171.79 26.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.97 -166.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -173.34 128.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.74 -156.52 27.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 3.4 m -105.74 153.51 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.921 HD11 HG23 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -114.03 144.59 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.777 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.7 tt0 -126.82 107.19 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.974 HG21 HD22 ' A' ' 73' ' ' LEU . 20.5 t -97.33 123.77 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.1 t -114.86 89.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.729 HD11 HG21 ' A' ' 35' ' ' VAL . 30.0 tp -65.96 92.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.642 HG21 ' HB3' ' A' ' 107' ' ' PRO . 25.0 t -67.76 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.588 ' N ' HG12 ' A' ' 17' ' ' VAL . 91.3 p -152.12 -173.23 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 148.06 28.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' CG ' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -135.41 152.72 51.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.74 -175.53 23.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? -73.03 -165.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -41.03 13.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -128.99 58.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 22' ' ' LEU . . . -133.08 112.2 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.11 85.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.784 ' CE1' HD13 ' A' ' 28' ' ' LEU . 23.3 t80 -150.6 126.34 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.784 HD13 ' CE1' ' A' ' 27' ' ' PHE . 1.8 mp 67.58 19.95 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' MET . 3.0 t-20 -59.58 -146.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -61.13 82.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' ASN . 3.4 ptm -162.73 177.96 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 41.7 m-20 -130.22 69.12 81.85 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.4 Cg_endo -75.0 150.68 38.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 27.6 p90 -126.17 150.71 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 16' ' ' LEU . 60.7 t -90.64 146.61 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 30.9 tt0 -122.81 95.93 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.888 ' HG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.85 131.1 43.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.621 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.3 m -134.06 135.09 43.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -142.43 107.25 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.308 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.54 -84.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.52 13.34 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 39' ' ' CYS . 3.1 pt20 -108.12 117.2 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 3.1 p-10 -103.47 151.52 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 37' ' ' LEU . 70.5 mt-30 -158.33 123.05 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' CD ' ' CE1' ' A' ' 34' ' ' TYR . 22.2 mtmt -104.73 160.79 14.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.72 170.51 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -48.58 156.41 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 32' ' ' ASP . 4.6 t -81.91 123.11 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -62.68 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' VAL . 22.7 mt-10 -74.42 129.52 37.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 35.53 72.59 0.12 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.513 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 6.7 mmt -116.76 -31.18 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 94.44 -146.38 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -84.63 15.15 3.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.415 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.578 HG22 ' CG ' ' A' ' 20' ' ' LYS . 3.0 p -144.02 78.76 13.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 141.35 26.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' TRP . 41.8 mp0 -120.91 172.47 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 23.4 m-90 -158.17 -46.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 47.44 28.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.79 -178.24 7.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.5 m -143.59 127.23 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.724 ' CD2' ' CD2' ' A' ' 37' ' ' LEU . 87.8 m-85 -126.67 135.02 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 3.5 mm -105.16 145.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' HB2' HD12 ' A' ' 12' ' ' LEU . 82.3 m-85 -146.57 126.15 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -61.93 139.09 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.609 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 6.9 t -127.58 137.0 58.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -140.59 -60.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.045 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -165.34 151.7 9.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.1 -58.12 4.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.127 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -66.14 108.62 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.1 p -135.96 19.9 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 1.7 pt-20 -164.74 145.88 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.974 HD22 HG21 ' A' ' 14' ' ' VAL . 6.4 tp -108.36 141.59 39.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -103.78 118.17 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.47 104.84 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.612 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 37.0 mttp -102.95 124.09 47.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.943 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.3 mp -84.65 131.22 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.088 ' CZ ' ' HB2' ' A' ' 88' ' ' ALA . 81.2 m-85 -137.51 150.99 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.819 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -73.14 159.58 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.71 -7.54 34.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -124.02 60.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 79' ' ' ASP . 7.3 p -161.83 168.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.549 ' N ' HG22 ' A' ' 82' ' ' VAL . . . -117.67 137.28 13.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLY . 19.7 p -36.31 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.389 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' GLY . 51.9 mt-10 -107.76 65.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 60.7 t0 -147.85 -68.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.95 120.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.088 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . . . -95.65 116.98 29.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.943 ' CG2' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -39.38 -30.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -177.07 172.14 45.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -147.53 164.3 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.853 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.26 155.75 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 26.3 m -108.63 114.5 28.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.759 HG22 HD11 ' A' ' 126' ' ' LEU . 2.9 mt -108.73 100.26 38.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 18.3 Cg_endo -75.03 133.82 17.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.425 1.75 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.658 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 1.3 mt -98.7 13.63 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.815 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.2 tt0 -76.31 -31.17 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -75.03 -27.58 9.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.841 HG13 ' CG1' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -84.98 -40.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 128' ' ' PHE . 14.8 m-30 -60.61 -22.95 64.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.2 t -92.41 -59.2 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.67 -53.5 27.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.8 -16.76 13.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -165.37 117.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.841 ' CG1' HG13 ' A' ' 99' ' ' VAL . 5.0 mm -114.76 140.85 25.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.07 173.76 13.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.645 ' N ' ' HB2' ' A' ' 125' ' ' ALA . 18.1 Cg_endo -75.0 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.56 143.45 45.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.853 ' HB1' ' HB2' ' A' ' 121' ' ' GLU . . . -74.6 95.51 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CD2' HG12 ' A' ' 94' ' ' ILE . 56.5 m-85 -76.52 133.39 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -47.4 118.71 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 92' ' ' ALA . 22.5 t -106.37 111.9 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.452 HG12 ' C ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -114.83 169.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 115' ' ' ASP . 36.7 tptt -142.22 88.93 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 8.7 t0 86.78 -22.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 155.43 -20.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.452 ' C ' HG12 ' A' ' 113' ' ' VAL . 4.8 mt-10 -88.71 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 120' ' ' GLY . 52.4 t80 -74.72 113.03 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.563 ' HB2' HG12 ' A' ' 112' ' ' VAL . 7.8 mmpt? -84.84 -32.74 23.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 164.07 -131.66 2.5 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.853 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 2.0 pm0 -148.73 152.79 37.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 0.731 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 92' ' ' ALA . 4.7 tt -121.79 130.72 74.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.616 ' NE1' ' HB2' ' A' ' 109' ' ' ALA . 40.9 m95 -92.45 114.89 27.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.2 t -143.47 130.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.645 ' HB2' ' N ' ' A' ' 107' ' ' PRO . . . -111.47 133.98 53.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.759 HD11 HG22 ' A' ' 94' ' ' ILE . 4.7 mt -106.1 155.6 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.17 79.39 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 100' ' ' PHE . 32.9 t80 -55.95 156.32 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -139.99 90.57 10.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.2 Cg_endo -74.96 130.97 13.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t -57.13 88.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' PRO . . . -74.64 -149.72 1.95 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.11 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.06 171.41 9.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.0 t -178.74 109.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.13 160.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t 65.91 101.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.27 -116.59 0.77 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 176.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m 62.31 169.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.22 -162.75 31.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -165.4 136.34 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.93 -125.51 1.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.505 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 96.8 m -136.05 144.32 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.028 HD11 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -107.74 143.08 36.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.879 ' N ' HD22 ' A' ' 12' ' ' LEU . 2.6 tt0 -125.8 110.24 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.028 HG23 HD11 ' A' ' 12' ' ' LEU . 36.3 t -102.45 118.2 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.737 ' HB ' ' HB3' ' A' ' 125' ' ' ALA . 58.9 t -105.87 91.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 35' ' ' VAL . 11.7 tp -71.89 93.43 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 107' ' ' PRO . 59.9 t -72.35 -81.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -151.11 -157.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB2' HG13 ' A' ' 122' ' ' ILE . . . -158.01 124.29 4.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.766 ' HG3' HG22 ' A' ' 55' ' ' THR . 1.4 mtpt -95.91 156.92 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.49 -140.43 7.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -163.13 -163.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.43 -26.63 7.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.509 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t0 -99.87 45.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.992 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . 178.38 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.18 103.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 28' ' ' LEU . 33.0 t80 -150.77 133.54 15.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER 61.36 78.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.2 122.78 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 t30 49.83 62.07 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 33' ' ' PRO . 11.3 ptm -166.07 175.08 8.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 49.0 m-20 -128.48 69.09 78.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 18.5 Cg_endo -74.94 165.22 31.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 78' ' ' PHE . 36.9 p90 -147.85 146.85 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 16' ' ' LEU . 77.6 t -91.25 136.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 45' ' ' LYS . 2.2 tt0 -125.2 101.92 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -70.01 139.1 52.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.3 m -133.5 128.29 35.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.9 90.24 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 62.79 -90.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -112.78 -2.27 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -94.71 122.48 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -126.75 133.75 50.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 54.6 mt-30 -155.83 122.69 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -124.45 168.84 12.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -110.55 172.37 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -55.29 179.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' ' 32' ' ' ASP . 2.8 m -91.86 140.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.847 ' HB1' ' HG3' ' A' ' 52' ' ' MET . . . -75.67 86.66 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 51' ' ' GLY . 18.1 mt-10 -65.58 120.73 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . 36.78 76.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.847 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 10.4 mmt -116.22 -32.51 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.37 -144.6 16.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 28' ' ' LEU . 6.7 p -93.08 23.27 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.766 HG22 ' HG3' ' A' ' 20' ' ' LYS . 1.1 p -153.42 69.03 6.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.473 ' CD ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 126.21 9.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.15 146.58 36.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -128.38 -49.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 61.56 41.76 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.79 178.44 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 m -142.72 124.03 14.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 37' ' ' LEU . 82.5 m-85 -124.13 133.08 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.505 ' CG2' ' CG2' ' A' ' 11' ' ' THR . 3.8 mm -104.53 145.53 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.671 ' HB2' HD12 ' A' ' 12' ' ' LEU . 60.2 m-85 -143.29 122.76 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.3 m -61.72 126.38 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 100' ' ' PHE . 17.0 t -110.12 147.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -161.7 -67.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -147.26 144.12 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.83 -52.13 4.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.502 ' CG2' ' SG ' ' A' ' 39' ' ' CYS . 4.5 m -57.81 100.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -136.59 15.18 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -173.44 146.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.0 HD22 HG21 ' A' ' 14' ' ' VAL . 10.3 tp -107.11 143.51 35.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -104.91 119.87 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.51 104.19 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mttp -103.04 137.63 40.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.951 HG22 ' CG2' ' A' ' 89' ' ' VAL . 5.0 mp -107.27 140.21 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.001 ' CE2' ' HB2' ' A' ' 88' ' ' ALA . 70.4 m-85 -141.07 -166.62 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 3.0 t70 -119.03 138.12 53.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CD ' ' HB2' ' A' ' 32' ' ' ASP . 5.3 ptmt -40.99 -42.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' C ' HG23 ' A' ' 82' ' ' VAL . 14.8 t0 -88.42 47.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.492 HG23 ' C ' ' A' ' 81' ' ' ASP . 97.6 t -157.09 150.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' GLU . . . -101.34 138.22 13.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' GLY . 12.8 p -36.62 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 83' ' ' GLY . 2.2 pt-20 -107.07 60.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 64.6 t0 -142.77 -68.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -165.84 113.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.001 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . . . -91.12 111.74 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.951 ' CG2' HG22 ' A' ' 77' ' ' ILE . 1.1 m -39.57 -29.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 88' ' ' ALA . . . -178.91 -175.12 45.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' VAL . 12.7 pm0 -160.01 166.41 30.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.718 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -149.26 148.36 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.4 m -103.8 114.45 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.885 ' CG2' HD11 ' A' ' 126' ' ' LEU . 3.3 mt -108.58 100.44 38.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.58 20.54 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.559 1.82 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.624 ' O ' ' CG ' ' A' ' 100' ' ' PHE . 5.0 mt -99.16 11.91 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.737 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 1.3 tt0 -72.32 -36.19 3.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 18.4 Cg_endo -74.97 -30.58 7.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.603 HG23 HG12 ' A' ' 105' ' ' ILE . 2.0 p -79.09 -29.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' A' ' 96' ' ' LEU . 17.8 m-30 -76.94 -20.26 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 t -95.77 -43.64 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.77 -34.15 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 92.46 -13.0 68.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.476 ' O ' HD13 ' A' ' 105' ' ' ILE . 35.5 p -159.89 137.88 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.603 HG12 HG23 ' A' ' 99' ' ' VAL . 22.2 mm -137.17 131.32 17.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.22 13.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 17' ' ' VAL . 18.1 Cg_endo -75.03 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -110.54 152.96 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.624 ' HB2' ' CE2' ' A' ' 123' ' ' TRP . . . -83.36 100.53 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' HG12 ' A' ' 94' ' ' ILE . 57.6 m-85 -82.52 132.74 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -52.62 122.12 8.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.718 HG22 ' HB2' ' A' ' 92' ' ' ALA . 44.8 t -106.04 116.26 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -118.54 170.85 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 21.8 tptt -139.51 89.98 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.71 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 11.2 m-20 80.99 -19.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.554 ' CB ' ' O ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER 156.63 -21.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 114' ' ' LYS . 5.3 mt-10 -88.69 138.96 30.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.609 ' CE2' HD13 ' A' ' 22' ' ' LEU . 46.7 t80 -80.0 117.69 21.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.15 -34.48 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.571 ' O ' ' CZ ' ' A' ' 118' ' ' TYR . . . 168.59 -134.9 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' LYS . 12.5 pt-20 -142.67 152.61 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.573 HG13 ' HB2' ' A' ' 19' ' ' ALA . 16.0 tt -123.96 137.05 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.624 ' CE2' ' HB2' ' A' ' 109' ' ' ALA . 35.6 m95 -102.79 124.11 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.45 HG23 ' C ' ' A' ' 123' ' ' TRP . 42.1 t -153.52 134.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.737 ' HB3' ' HB ' ' A' ' 15' ' ' VAL . . . -104.38 146.86 28.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.885 HD11 ' CG2' ' A' ' 94' ' ' ILE . 3.3 mt -124.46 136.34 53.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.4 m -143.08 98.37 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' A' ' 100' ' ' PHE . 31.3 t80 -74.35 156.81 36.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -140.49 90.36 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.12 28.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 m -86.31 57.63 4.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -150.0 -146.23 4.28 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.13 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -147.13 164.48 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.8 t -146.31 100.53 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.123 . . . . 0.0 110.977 -179.98 . . . . . . . . 0 0 . 1 stop_ save_