data_1nwb_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 1nwb _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.639 ' CD1' ' CE ' ' A' ' 77' ' ' MET . 0.5 OUTLIER -78.23 130.23 36.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 13.5 mm -73.92 110.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 2.5 t80 -156.93 149.66 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -135.4 110.81 9.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -113.28 142.67 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.9 p -61.82 178.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -25.54 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -65.74 -49.05 69.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' CB ' HG23 ' A' ' 12' ' ' VAL . . . -52.79 -57.7 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.94 -43.55 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.58 -33.37 72.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.579 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 2.7 tp10 -66.55 -38.05 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -74.05 -42.0 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -64.07 -40.28 95.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -69.54 -51.12 38.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.22 -47.53 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -67.95 -42.5 80.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -56.4 -33.7 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.52 -8.41 59.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 35.8 m-80 -108.36 -10.63 15.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 10.9 t30 78.44 28.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mt -99.45 146.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.11 9.45 11.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.71 66.82 7.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.02 130.07 12.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.25 115.41 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 50' ' ' MET . 15.4 tp -91.91 115.58 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -106.29 144.9 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 48' ' ' TYR . 9.8 mm -103.07 131.33 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 118.49 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.53 129.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -126.43 136.17 28.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 110.965 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE1' ' CD1' ' A' ' 36' ' ' ILE . 8.9 p90 -78.22 138.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . . . -80.71 159.36 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.466 ' SD ' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -107.63 173.39 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.38 172.36 43.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -109.42 120.92 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.01 175.89 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.82 -45.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 t -71.0 -178.98 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.89 155.58 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 170.18 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.08 47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.49 72.72 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 143.44 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.603 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 11.3 m80 -64.97 88.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.535 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -78.52 113.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 2.7 t80 -116.17 118.82 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -67.94 136.24 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.0 m-85 -112.43 -167.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.53 70.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.71 36.37 43.03 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 48.1 t -153.33 154.71 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 68' ' ' VAL . 7.5 mttt -96.75 147.1 24.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 65' ' ' TYR . 98.5 t -145.92 152.22 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.419 ' N ' HG12 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -144.69 158.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.456 HG13 ' CG1' ' A' ' 36' ' ' ILE . 5.3 mp -143.86 130.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.13 166.4 2.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.11 14.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.445 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.2 m-85 -87.79 -30.82 19.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.0 p -89.17 -18.24 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.639 ' CE ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.94 -49.36 93.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.02 1.94 7.2 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.23 4.3 33.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.522 HG12 ' CZ ' ' A' ' 48' ' ' TYR . 32.7 m -151.85 33.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.27 104.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.17 16.3 13.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.47 173.8 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -124.88 133.32 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -117.07 108.74 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -97.41 102.28 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.579 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 1.5 t80 -85.28 123.71 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -125.6 113.33 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 111.001 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -130.92 136.14 48.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 48' ' ' TYR . 4.3 tt -135.18 136.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.53 138.69 54.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -123.85 122.87 26.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.587 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.2 p90 -95.91 141.79 28.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.51 109.51 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 26.2 t80 -160.59 151.21 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -127.56 128.12 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.58 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -124.3 140.88 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -63.58 155.06 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 2.7 m-20 -61.71 -23.14 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -64.52 -39.48 93.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -71.9 -50.94 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.574 HG23 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -61.57 -58.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -54.81 -24.17 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 20.4 tp10 -75.16 -17.87 60.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 52' ' ' PHE . 4.1 mm -79.31 -55.3 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.37 -22.36 42.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -50.73 30.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.567 ' CG1' ' CZ ' ' A' ' 52' ' ' PHE . 1.5 t -69.83 -24.48 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.26 -51.05 14.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -15.92 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 0.52 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -138.13 15.58 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 53.17 43.21 31.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -99.1 140.44 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -120.15 5.74 10.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -151.35 66.04 6.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.0 mt -92.68 96.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -92.03 118.86 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -108.54 139.84 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG22 ' CD2' ' A' ' 48' ' ' TYR . 2.0 mp -96.34 108.8 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -121.87 152.5 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG22 ' CE2' ' A' ' 48' ' ' TYR . 5.1 t -70.32 157.73 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -150.79 108.96 3.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.535 ' CE2' HG22 ' A' ' 38' ' ' VAL . 32.1 m-85 -83.08 112.96 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.517 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -80.56 159.3 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.477 ' SD ' ' CE1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -91.9 174.86 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.14 140.53 3.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 20' ' ' ILE . 4.3 m-85 -112.02 113.62 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.08 175.3 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -129.54 62.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 56' ' ' VAL . 1.2 t -178.36 172.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.416 ' N ' ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -134.95 155.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -89.26 170.78 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.49 29.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.1 60.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.64 126.47 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -66.66 101.39 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.83 123.46 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.585 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -115.87 123.75 48.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.44 127.8 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 17' ' ' VAL . 2.5 m-85 -113.75 -165.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.15 71.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.25 35.71 60.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 69' ' ' LYS . 78.9 t -150.49 151.96 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 68' ' ' VAL . 3.9 mttp -108.04 145.43 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -143.88 153.26 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' HIS . 1.8 m -144.78 162.07 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 8' ' ' PHE . 5.4 mt -144.98 125.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -47.27 158.72 0.45 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.09 13.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.447 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 4.0 m-85 -89.37 -26.66 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 -19.74 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.496 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.63 -50.7 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.01 1.06 8.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -27.45 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.76 31.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.81 114.16 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.94 -34.66 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.2 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.63 137.12 39.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -110.11 109.55 20.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER -96.34 129.36 43.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 49.2 t80 -85.1 124.92 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -119.1 129.98 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 86' ' ' ASP . 1.2 m -143.2 156.7 44.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.13 141.87 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.77 97.31 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -85.83 119.01 71.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.618 ' O ' ' CZ ' ' A' ' 63' ' ' PHE . 2.6 t80 -102.36 128.63 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.29 110.13 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 38.1 t80 -159.04 146.8 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -125.09 112.73 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -110.67 141.18 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -58.55 170.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -27.34 55.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.06 -45.97 83.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 19' ' ' GLU . . . -57.22 -59.6 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.508 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 1.7 t -55.33 -44.06 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.29 -23.22 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.571 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 6.5 tp10 -82.51 -31.3 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 20' ' ' ILE . 2.9 mm -70.38 -51.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -22.64 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -74.85 -51.15 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 52' ' ' PHE . 1.6 t -61.74 -38.83 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -66.37 -51.06 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.99 -26.74 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.46 -12.58 59.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -116.06 9.75 14.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.76 20.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -98.75 136.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.48 10.18 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -149.73 66.79 8.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.99 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mt -92.7 106.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 50' ' ' MET . 1.3 tp -91.77 128.17 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -110.92 126.79 55.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.29 109.07 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 144.8 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.35 154.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -130.3 92.4 35.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 31.3 m-85 -91.47 122.54 34.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.15 159.17 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 9.6 mtt -109.9 174.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.41 -170.93 39.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 p90 -138.5 126.67 22.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.89 172.68 9.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -125.67 -45.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -67.68 179.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -141.33 155.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -87.9 170.86 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -83.3 40.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.72 66.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -108.21 142.0 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.01 81.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.512 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -76.74 114.62 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -117.35 120.46 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.96 134.06 53.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.585 ' CE2' HG23 ' A' ' 70' ' ' VAL . 1.9 m-30 -113.76 -167.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.62 70.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 74.59 36.33 49.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 38.8 t -152.87 161.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 0.8 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 2.5 mttt -102.56 147.95 26.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.585 HG23 ' CE2' ' A' ' 65' ' ' TYR . 46.9 t -146.24 158.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.56 154.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.549 HD11 ' CE2' ' A' ' 8' ' ' PHE . 4.6 mt -144.57 115.17 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 161.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.2 13.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 14.9 m-85 -80.72 -19.81 44.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -87.87 -18.49 29.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.08 -52.98 70.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -43.79 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.639 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 22.6 m -122.74 49.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 5.5 p-10 -79.54 100.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.94 -24.39 11.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.46 176.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 9.1 pt-20 -132.35 156.29 46.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 0.1 OUTLIER -135.64 107.75 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -97.08 123.72 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 3.8 t80 -85.42 138.27 32.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -128.57 147.81 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 m -153.52 144.36 22.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 85' ' ' LEU . 15.2 mm -109.17 139.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 2.2 mtt180 -127.27 96.95 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.88 117.38 24.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 15.4 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.804 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -74.6 159.41 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.12 110.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 72' ' ' ILE . 20.4 t80 -159.49 137.37 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HB2' ' CG ' ' A' ' 84' ' ' GLU . 49.0 mmtt -135.99 118.92 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.02 134.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.6 p -55.28 155.81 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -62.94 -24.69 67.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -63.69 -41.62 98.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 19' ' ' GLU . . . -72.08 -51.15 22.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 65' ' ' TYR . 1.4 t -60.2 -45.95 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -73.86 -5.62 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.4 tp10 -90.2 -17.54 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.496 ' CD1' HD12 ' A' ' 34' ' ' LEU . 1.5 mm -88.06 -31.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -60.0 -36.96 78.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -75.02 -28.65 60.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 1.4 t -77.57 -38.66 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -40.44 55.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -51.72 -44.88 63.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -15.74 63.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.52 8.82 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 57.99 25.02 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -99.47 136.77 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.75 8.51 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.18 75.08 8.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.3 38.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.7 mt -130.59 112.69 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD12 ' CD1' ' A' ' 20' ' ' ILE . 2.1 mm? -88.95 110.74 21.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -99.02 122.59 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.456 ' CG2' HG23 ' A' ' 72' ' ' ILE . 1.1 mp -88.1 128.17 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -150.89 123.95 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.07 120.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -96.49 117.01 66.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 92.4 m-85 -88.44 102.81 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -82.56 138.75 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.401 ' CE ' HD11 ' A' ' 20' ' ' ILE . 4.7 ptt? -121.9 165.75 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.54 161.83 27.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 33.6 p90 -69.67 115.22 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.14 174.61 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.28 -41.95 84.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -164.63 -178.32 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.7 155.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.05 169.87 12.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 20.94 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.23 47.45 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.51 125.81 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.804 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 3.5 m80 -64.91 101.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.46 119.78 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -115.47 113.34 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.05 132.87 45.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -120.29 -162.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.96 70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.98 17.25 80.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.99 159.45 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -109.99 146.52 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.558 HG23 ' CE2' ' A' ' 65' ' ' TYR . 10.0 t -136.83 148.8 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' C ' HG13 ' A' ' 72' ' ' ILE . 5.3 m -144.25 159.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' A' ' 10' ' ' PHE . 5.8 mt -143.71 132.82 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.53 158.5 14.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.75 13.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.6 m-85 -94.47 -27.2 16.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.3 m -89.61 -20.51 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.571 ' HE2' ' CZ ' ' A' ' 8' ' ' PHE . 4.0 mmm -58.56 -49.6 92.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.97 2.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -19.8 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 3.0 m -126.1 2.32 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' MET . 21.5 t-20 -53.41 153.16 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 40.01 50.08 3.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.147 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.99 154.91 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 1.4 mt-10 -109.43 160.01 16.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.54 108.87 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' THR . 3.0 t0 -95.25 122.04 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 75.8 t80 -85.04 128.05 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.2 m-85 -125.1 137.62 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.4 m -137.45 136.04 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.92 140.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -123.22 103.83 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -90.39 148.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE1' ' ND1' ' A' ' 61' ' ' HIS . 37.6 m-85 -81.46 160.86 23.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -86.21 117.28 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 2.5 t80 -159.68 113.12 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -105.29 131.63 52.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -126.32 130.18 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.8 p -53.21 149.12 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.49 -26.33 42.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -40.56 96.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -64.41 -58.05 7.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.548 HG22 ' CD1' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -55.71 -51.31 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -51.75 -40.17 59.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 8.7 tp10 -58.95 -24.94 63.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mm -84.26 -41.48 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -66.75 -42.54 86.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.6 75.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.74 -59.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -57.88 -35.24 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.98 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -86.36 -3.92 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -121.18 16.7 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 51.13 30.7 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.6 mt -91.69 140.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.26 7.81 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.3 66.16 6.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.455 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 131.08 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 53' ' ' ASP . 13.3 mt -102.2 104.43 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 50' ' ' MET . 40.4 tp -92.39 122.46 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 22.5 ptt85 -115.12 128.28 56.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.38 109.94 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 157.66 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.4 t -83.87 118.7 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.56 88.53 24.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' PHE . 21.2 mp0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.644 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 20.4 m-85 -89.17 119.58 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 159.25 19.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.608 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 10.5 mtt -98.63 175.28 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.44 168.71 40.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -131.81 98.13 4.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 1.1 m-20 -130.88 125.98 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -46.34 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.3 t -42.61 160.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.48 155.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.57 170.7 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.67 24.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.47 53.59 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' HB ' ' A' ' 71' ' ' VAL . 1.1 m-20 -97.41 143.48 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.63 ' ND1' ' CE1' ' A' ' 8' ' ' PHE . 7.9 m-70 -74.07 102.55 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -76.11 115.08 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.623 ' CE1' ' CD1' ' A' ' 72' ' ' ILE . 3.2 m-85 -116.08 112.84 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.37 128.04 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CD1' HG22 ' A' ' 17' ' ' VAL . 2.7 m-85 -122.57 -166.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.15 70.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.42 35.8 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.2 t -145.63 145.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 146.08 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' A' ' 65' ' ' TYR . 2.6 t -132.69 158.28 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' CG ' ' A' ' 60' ' ' ASP . 17.2 m -144.87 110.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.623 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 4.1 mt -94.72 171.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 160.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.19 15.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.448 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 6.1 m-85 -90.5 -8.51 50.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' VAL . 7.8 t -89.1 -25.8 21.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.498 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -57.42 -51.44 81.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.97 2.28 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.558 1.82 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -23.53 9.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.644 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 11.2 m -138.69 40.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -69.73 105.15 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.18 -4.75 61.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.28 169.78 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -126.96 139.64 52.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.55 107.43 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -97.19 104.81 16.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.608 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 12.1 t80 -85.62 132.31 34.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -120.44 139.61 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 m -157.56 143.7 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.52 144.99 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 100.8 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -73.3 131.61 82.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.486 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -83.6 159.79 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.14 110.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -159.1 145.06 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mppt? -144.05 128.89 18.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG23 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -133.02 128.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.0 p -62.27 166.32 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -31.3 72.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -57.43 -44.41 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 12' ' ' VAL . . . -69.13 -51.49 37.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -55.69 -48.32 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.8 tm-20 -59.18 -45.06 92.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 3.6 tm-20 -46.0 -34.89 4.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.546 ' CG2' ' CD1' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -79.59 -35.87 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.6 mmtp -56.66 -34.46 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -74.99 -42.22 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.97 -40.28 88.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.41 -41.03 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -45.56 74.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.37 -19.84 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.87 4.18 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 t30 60.55 32.64 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.3 mt -94.57 136.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -114.26 5.08 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -151.47 72.4 8.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.06 122.46 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 mt -103.52 96.28 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.546 ' CD1' ' CG2' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.7 137.27 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' NH1' ' OE2' ' A' ' 57' ' ' GLU . 33.4 ttp180 -108.11 152.6 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 48' ' ' TYR . 6.0 mm -88.75 128.63 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 120.84 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.1 t -76.84 125.4 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -100.38 136.35 20.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 51.9 p90 -81.2 115.96 20.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 96' ' ' PHE . . . -80.75 159.2 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.15 175.12 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.43 126.22 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 7.0 p90 -68.98 122.56 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -100.13 175.0 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -44.87 83.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 t -165.3 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' CG2' HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -81.25 155.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' NH1' ' A' ' 35' ' ' ARG . 18.8 mt-10 -79.26 170.98 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -85.33 23.73 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.4 55.22 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -123.24 136.01 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.786 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -65.13 97.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.69 115.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 8.4 t80 -116.32 120.49 39.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.5 126.58 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.6 ' CE1' ' CB ' ' A' ' 70' ' ' VAL . 4.3 m-85 -101.21 -168.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -67.38 70.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.9 34.08 35.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 60.5 t -153.34 159.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.9 154.86 18.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.6 ' CB ' ' CE1' ' A' ' 65' ' ' TYR . 22.2 t -153.38 161.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 1.2 m -146.81 116.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 10' ' ' PHE . 4.0 mt -94.42 138.94 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.67 159.03 80.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.48 12.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 7.4 m-85 -89.84 -29.48 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.2 t -88.32 -19.42 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.603 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.43 -52.13 76.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.0 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -97.97 -28.96 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.44 HG22 ' CE1' ' A' ' 10' ' ' PHE . 17.7 m -135.77 37.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -76.24 148.21 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.05 49.35 13.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.54 150.91 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.747 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -102.72 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.3 tp -121.41 106.29 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.97 131.09 45.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.531 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 4.2 t80 -85.91 130.44 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CE1' ' HB1' ' A' ' 49' ' ' ALA . 20.7 m-85 -112.49 145.66 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 98' ' ' ILE . 3.1 m -145.62 143.64 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.562 HD13 ' CE2' ' A' ' 48' ' ' TYR . 49.3 mm -100.3 137.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.8 103.39 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.94 129.81 74.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.438 ' N ' ' HD1' ' A' ' 61' ' ' HIS . 45.7 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.5 p90 -100.84 138.88 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mm -86.97 109.79 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 27.7 t80 -160.5 137.34 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -105.53 129.73 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' CG1' ' OH ' ' A' ' 65' ' ' TYR . 0.4 OUTLIER -125.02 137.31 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -57.94 170.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.37 -30.04 61.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -36.98 85.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.23 -55.17 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.64 ' CG2' ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -57.71 -46.06 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.76 -31.33 72.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 3.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CG2' ' CD2' ' A' ' 34' ' ' LEU . 2.2 mm -74.27 -33.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.31 -31.03 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -51.1 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.36 -30.78 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.96 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.0 -11.32 59.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.04 7.97 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.4 t30 44.55 40.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -99.66 127.11 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.29 7.42 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -151.24 66.18 7.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.96 120.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.97 96.1 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 50' ' ' MET . 1.6 mm? -95.34 139.55 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.0 tmm_? -120.6 143.01 48.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.6 mm -89.23 137.51 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -142.02 165.64 26.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -112.01 109.6 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 33.5 m -101.8 134.09 20.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 44.5 m-85 -81.7 126.63 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . . . -104.68 159.04 16.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.554 ' HE1' ' CE2' ' A' ' 87' ' ' TYR . 17.5 ptp -100.61 173.78 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.16 113.21 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 54.9 p90 -68.9 121.27 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.34 175.23 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -18.29 46.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.3 177.44 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 p -95.52 154.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.8 170.55 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.96 23.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.58 61.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.51 134.34 49.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.438 ' HD1' ' N ' ' A' ' 7' ' ' GLN . 98.5 m-70 -64.29 93.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.78 134.08 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -116.59 133.62 55.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.29 122.69 33.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.64 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 4.7 m-85 -115.83 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.99 72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.31 22.02 79.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.4 155.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -114.58 144.28 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -145.8 155.89 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG22 ' CG ' ' A' ' 35' ' ' ARG . 1.2 m -144.72 164.97 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.482 HD13 ' CD1' ' A' ' 8' ' ' PHE . 63.6 mt -146.7 117.11 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.3 m-20 -39.18 154.79 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.24 -27.73 21.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.0 m -88.77 -18.92 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.502 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.1 -51.14 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.96 1.8 7.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.22 -25.89 14.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.59 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 32.2 m -139.48 38.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 3.5 p30 -78.9 120.64 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.98 -32.58 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 177.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 29.8 tt0 -134.29 132.36 39.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.429 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 0.1 OUTLIER -110.34 113.87 26.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.466 ' O ' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -97.02 100.72 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.591 ' OH ' ' CE2' ' A' ' 96' ' ' PHE . 6.0 t80 -85.53 122.57 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.3 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.591 ' CE2' ' OH ' ' A' ' 87' ' ' TYR . 25.0 m-85 -92.45 114.59 27.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 86' ' ' ASP . 7.4 t -145.78 138.27 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 84' ' ' GLU . 4.4 mp -120.86 138.0 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.51 104.47 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -53.07 153.85 5.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.526 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 6.4 tt0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 4.8 m-30 -87.65 160.93 17.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -83.23 112.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -157.21 149.4 22.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -137.35 146.2 44.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.72 134.56 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.5 p -54.27 154.53 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -39.58 75.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -61.42 -43.7 98.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.83 88.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.638 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 1.2 t -66.8 -56.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -24.62 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -67.88 -18.59 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 2.1 mm -85.5 -40.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 39.0 mtmt -62.37 -42.52 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -60.96 -26.56 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 HG12 ' CD2' ' A' ' 52' ' ' PHE . 2.3 t -90.17 -33.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.24 -48.16 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.503 HE21 ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.79 -24.77 66.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.3 OUTLIER -80.48 -16.62 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -112.93 4.79 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 59.16 36.59 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.85 132.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.22 8.57 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -151.32 66.7 7.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.33 27.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 mt -124.66 100.42 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -92.39 131.87 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 3.6 ptt180 -110.1 146.54 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.25 109.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.83 157.3 37.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 t -94.19 137.89 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.9 107.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 7.2 m-85 -98.77 125.02 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.464 ' CB ' HD13 ' A' ' 34' ' ' LEU . 12.6 mtt -91.01 174.62 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.3 129.24 1.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 7.5 p90 -108.08 108.48 19.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -107.5 175.12 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -128.06 59.98 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.2 t -176.2 150.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.05 155.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.74 170.6 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -82.05 42.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.26 72.48 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -120.79 141.71 50.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 0.716 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.662 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -65.38 94.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.589 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.26 108.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.662 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -116.66 120.99 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.31 125.05 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.638 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 3.8 m-30 -105.5 -168.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.92 70.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 77.18 34.72 40.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -151.92 157.02 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 149.23 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.567 HG22 ' CE2' ' A' ' 65' ' ' TYR . 2.4 t -138.46 161.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.4 m -145.44 160.22 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.603 HD12 ' CD2' ' A' ' 61' ' ' HIS . 3.1 mt -149.2 165.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.07 158.62 33.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.59 13.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.484 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -90.14 -14.39 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 74.9 m -89.55 -20.45 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.567 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.8 -48.97 96.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.96 1.69 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -5.61 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.656 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 31.1 m -143.07 34.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 2.3 p30 -54.26 122.18 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.74 28.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . . . -76.06 178.52 6.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -141.25 106.25 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 97' ' ' THR . 1.8 tp -73.1 107.3 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 97' ' ' THR . 0.7 OUTLIER -97.35 139.01 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 4.7 t80 -85.93 122.79 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.7 p90 -129.77 107.05 9.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.463 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -149.12 152.62 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.413 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 97' ' ' THR . 4.6 tp -129.9 124.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.81 97.16 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.78 154.89 61.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.542 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 33.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 2.9 m-30 -106.06 159.98 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.15 113.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' A' ' 72' ' ' ILE . 8.6 t80 -159.06 129.99 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -134.58 126.15 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG2' ' CB ' ' A' ' 16' ' ' ALA . 3.3 p -105.41 149.4 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 p -63.73 143.91 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -33.3 20.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . 4.8 tptt -64.88 -43.91 91.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' CG2' ' A' ' 12' ' ' VAL . . . -54.79 -45.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.75 -48.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.06 -23.19 61.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' LYS . 17.8 tp10 -68.45 -76.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.507 HG22 ' CD1' ' A' ' 34' ' ' LEU . 2.1 mp -48.06 -23.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -53.44 -38.76 63.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -75.55 -42.69 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.78 -36.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -71.75 -39.65 69.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -36.62 83.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -8.03 51.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -112.18 10.92 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.8 t30 54.76 33.59 19.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -99.63 148.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -127.93 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.92 66.81 7.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.465 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.96 142.14 27.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.74 97.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.507 ' CD1' HG22 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.56 129.69 37.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.01 133.78 52.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' ' CG1' ' A' ' 70' ' ' VAL . 4.0 mp -88.61 108.67 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 156.71 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 79' ' ' TYR . 43.9 t -80.9 134.25 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.0 85.63 57.63 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 20.0 m-85 -84.81 105.2 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.561 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . . . -81.11 159.05 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.57 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -94.27 175.39 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.86 113.61 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 11.0 p90 -68.92 125.14 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.0 175.34 6.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -148.13 64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -175.66 149.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.95 155.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 3.1 mm-40 -108.58 170.18 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -84.7 38.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.83 58.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -116.14 137.73 51.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.693 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 1.1 t60 -65.04 121.18 14.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.561 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -95.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -118.27 111.91 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.92 124.18 27.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.51 ' CE1' HG21 ' A' ' 70' ' ' VAL . 3.1 m-85 -111.74 -165.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.25 69.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 85.86 -20.12 21.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.9 t -96.86 171.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 70' ' ' VAL . 14.8 tttt -137.91 150.28 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.51 HG21 ' CE1' ' A' ' 65' ' ' TYR . 9.9 t -131.49 152.37 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.506 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 2.7 m -144.32 110.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.509 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.4 mt -93.37 158.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.41 159.51 50.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.28 13.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 11.9 m-85 -88.91 -23.47 22.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.9 t -89.26 -18.37 27.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.03 -49.5 92.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.435 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -106.52 -23.18 12.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.658 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 34.6 m -135.1 43.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -82.54 142.8 31.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 45.05 55.54 6.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.55 169.61 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -125.38 150.27 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.47 108.93 20.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -95.18 104.77 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -85.46 118.68 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 95' ' ' GLY . 17.5 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -129.42 138.06 51.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 m -157.33 134.14 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.1 mm -111.73 129.61 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 116.64 32.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -119.36 119.08 32.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.668 ' CD1' ' CE ' ' A' ' 77' ' ' MET . 8.3 t80 -74.41 161.98 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' ' CZ ' ' A' ' 8' ' ' PHE . 10.6 mm -79.46 109.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.552 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 26.6 t80 -159.37 135.24 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -137.02 111.48 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.4 HG21 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -108.76 137.63 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -57.99 168.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.69 90.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 12' ' ' VAL . . . -61.56 -51.98 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.525 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -61.02 -55.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.56 -26.67 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 11.5 tp10 -58.98 -37.7 77.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.497 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 2.5 mp -74.05 -35.69 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -58.34 -44.12 88.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -48.92 34.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.74 -40.4 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.451 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -73.07 -39.54 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.01 -39.48 74.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -4.59 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -116.82 5.06 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t30 54.47 34.98 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -99.18 141.93 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -118.76 6.43 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -151.34 66.35 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.98 161.26 39.11 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.76 114.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' CG1' ' A' ' 20' ' ' ILE . 9.1 tp -92.38 130.84 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.01 139.68 52.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' HB ' ' CG2' ' A' ' 72' ' ' ILE . 8.2 mm -92.45 111.7 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -128.57 134.98 48.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.429 HG23 ' CD2' ' A' ' 79' ' ' TYR . 2.3 t -78.68 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -151.93 125.84 4.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.641 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 2.6 m-85 -78.65 137.17 37.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.73 158.5 25.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.465 ' HB2' ' CD1' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -136.68 145.26 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' N ' HD11 ' A' ' 34' ' ' LEU . . . -172.18 172.93 45.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.546 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 41.8 p90 -77.95 127.3 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.94 173.61 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -34.61 28.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -166.09 173.15 10.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.12 155.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.33 170.17 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -87.33 21.77 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.59 52.05 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -111.81 168.54 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 88.0 m-70 -93.9 95.94 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.04 116.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -115.23 112.74 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -73.07 134.57 44.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.88 -155.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -66.11 71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 64.86 39.12 96.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -152.43 144.62 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.57 129.16 56.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 71' ' ' VAL . 54.0 t -102.9 161.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -144.74 156.94 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.447 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 7.2 mt -144.12 105.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.1 m-20 -39.21 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 18.5 Cg_endo -74.96 -20.9 16.5 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.415 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -84.99 -28.5 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.9 p -88.44 -17.61 30.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.668 ' CE ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.75 -51.45 80.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.044 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -75.05 1.56 7.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CD2' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -112.27 -11.08 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.641 ' CG1' ' CE2' ' A' ' 48' ' ' TYR . 4.4 m -143.63 48.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 5.8 p-10 -91.78 139.23 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.2 57.26 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.74 175.99 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -132.18 173.63 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.88 107.71 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 97' ' ' THR . 45.9 t0 -96.62 133.9 40.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 40.5 t80 -85.63 99.87 11.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 95' ' ' GLY . 15.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.69 106.63 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.478 ' CG2' HG23 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -144.19 139.52 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.67 142.9 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.04 124.95 40.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -99.49 140.65 21.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 3.1 pt20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 2.1 m-85 -120.15 159.7 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mm -85.11 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -154.74 112.77 3.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -106.12 117.49 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' HG22 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.83 136.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -58.56 171.6 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.92 -27.76 57.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -42.75 92.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 87' ' ' TYR . . . -64.41 -50.27 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 12' ' ' VAL . 2.1 t -55.68 -48.93 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.67 -40.3 94.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 15.9 tp10 -54.22 -30.39 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CG2' ' HG ' ' A' ' 34' ' ' LEU . 3.0 mm -67.59 -36.33 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -27.22 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -30.67 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.74 -32.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.15 -42.59 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -54.42 -24.98 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -2.49 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.0 2.3 8.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.6 t30 54.29 38.3 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -99.69 127.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 7.66 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -151.12 66.79 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.483 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -74.99 115.13 4.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.4 mt -100.82 97.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -91.58 137.3 32.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 140.41 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 72' ' ' ILE . 6.5 mm -89.45 139.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.8 144.74 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.15 115.12 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -130.02 83.59 63.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.54 1.811 . . . . 0.0 111.002 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.494 ' OE1' ' CG2' ' A' ' 98' ' ' ILE . 10.6 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.558 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 25.9 m-85 -78.16 117.79 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . . . -83.89 159.36 21.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.462 ' HB2' ' CE2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -96.16 167.07 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.24 117.64 0.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 37.0 p90 -70.07 128.91 37.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.62 175.37 6.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -100.28 -9.11 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 56' ' ' VAL . 1.8 m -165.67 168.27 16.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER -95.03 155.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.14 170.71 12.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 24.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.3 59.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -122.5 148.78 44.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 1.5 t60 -66.14 72.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.604 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.6 p -76.31 98.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -116.1 143.86 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 11.9 mt-10 -87.87 139.2 30.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 63' ' ' PHE . 49.4 m-85 -129.63 -160.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -64.99 71.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 70.31 16.13 73.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.89 163.46 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.252 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 64' ' ' GLU . 1.3 mmtp -128.02 142.88 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.566 HG22 ' CE1' ' A' ' 65' ' ' TYR . 14.0 t -132.8 152.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 3.6 m -145.16 158.65 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 61' ' ' HIS . 1.3 mp -140.79 122.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -39.47 157.88 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.95 15.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 5.9 m-85 -86.44 -25.11 25.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 m -89.13 -18.64 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.28 -49.43 93.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.03 2.61 6.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -18.42 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.558 ' CG1' ' CE2' ' A' ' 48' ' ' TYR . 26.2 m -137.62 34.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.72 113.0 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 -7.7 60.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.12 158.44 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -115.2 121.5 43.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 36' ' ' ILE . 1.2 tp -89.08 106.91 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.2 98.52 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 96' ' ' PHE . 0.8 OUTLIER -86.06 129.23 34.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.583 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 8.0 p90 -72.78 138.11 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 m -159.29 154.12 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.494 ' CG2' ' OE1' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -136.46 134.15 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -107.19 113.28 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.79 144.3 29.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.586 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 2.0 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 9.2 m-85 -74.86 160.47 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mm -74.71 116.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -159.56 129.31 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -133.16 121.38 22.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 16' ' ' ALA . 1.8 p -110.85 144.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 16' ' ' ALA . 17.0 p -58.64 136.55 57.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.469 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -43.95 88.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -55.8 -46.41 78.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.16 -44.46 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.62 -33.89 68.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 28.8 tp10 -57.08 -31.96 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 3.3 mp -73.28 -38.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mppp? -50.75 -41.26 56.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.15 -51.38 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.64 -38.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.422 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.85 -42.46 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.94 -43.99 63.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -6.95 44.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -119.38 4.25 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' ALA . 45.6 t30 50.33 42.26 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.9 mt -99.39 139.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.73 4.25 16.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -151.26 65.33 6.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.512 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.01 116.26 4.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.81 95.39 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' CG1' ' A' ' 20' ' ' ILE . 3.3 mm? -92.16 141.34 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 25.5 ptt-85 -108.01 144.71 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 HG21 ' CG2' ' A' ' 72' ' ' ILE . 1.3 mp -104.39 117.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -143.69 169.71 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 39' ' ' VAL . 23.4 t -79.85 147.8 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' N ' HG11 ' A' ' 38' ' ' VAL . 67.5 t -109.59 100.68 43.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 37' ' ' ARG . 7.9 m-85 -79.0 148.44 32.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.62 148.83 47.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.594 ' SD ' ' CE2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -102.81 169.24 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' LEU . . . 178.35 121.13 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 24.4 p90 -68.52 117.5 10.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.42 175.09 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.51 -52.17 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t -165.03 -177.65 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 ' CG2' HG11 ' A' ' 71' ' ' VAL . 8.8 p -77.28 156.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.39 171.0 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -82.94 18.95 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.54 57.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.78 165.23 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.796 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -76.77 98.44 4.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.608 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -76.58 100.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.11 111.68 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.4 126.45 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE2' HG23 ' A' ' 70' ' ' VAL . 4.1 m-85 -112.32 -163.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -64.27 70.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 88.88 -29.24 5.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 1.8 t -95.4 173.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 147.73 37.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.572 HG23 ' CE2' ' A' ' 65' ' ' TYR . 70.6 t -124.36 160.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 71' ' ' VAL . 1.4 m -145.82 110.79 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 61' ' ' HIS . 1.0 OUTLIER -94.9 152.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.47 156.72 86.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -24.52 12.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.3 t80 -90.77 -30.46 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -89.05 -19.88 25.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.579 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 3.4 mmm -57.96 -50.09 90.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.96 1.72 7.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 -17.83 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.532 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -135.69 34.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.9 t-20 -45.62 129.02 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.54 26.38 0.39 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.53 155.33 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -113.52 106.9 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 1.6 tp -85.12 106.53 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -98.38 105.79 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' SD ' ' A' ' 50' ' ' MET . 11.9 t80 -86.2 111.92 20.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.5 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.73 142.11 34.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.11 129.17 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -131.82 126.05 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.42 129.66 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -138.08 140.25 28.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.627 ' O ' ' CE2' ' A' ' 63' ' ' PHE . 16.5 t80 -87.31 124.49 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mm -84.74 109.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 13.7 t80 -159.57 148.8 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -131.45 108.98 9.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 2.1 p -113.66 147.78 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -63.79 143.5 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.83 -26.86 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -65.07 -39.01 92.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' CB ' ' CG2' ' A' ' 12' ' ' VAL . . . -67.78 -50.34 57.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.536 HG23 ' CZ ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -64.86 -54.27 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' HG11 ' A' ' 17' ' ' VAL . 11.4 tm-20 -52.19 -30.94 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -66.62 -33.57 75.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.0 mm -70.46 -29.49 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -77.71 -35.11 52.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.73 -51.17 24.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 52' ' ' PHE . 13.7 t -55.13 -37.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.23 -45.33 40.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -55.87 -32.18 63.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -3.8 54.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -124.08 10.42 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.2 t30 54.52 34.56 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.28 125.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -105.09 8.45 34.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -149.7 66.62 8.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.01 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mt -89.44 104.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 50' ' ' MET . 14.2 tp -90.68 112.19 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -107.51 134.67 50.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 mp -90.0 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.52 127.85 47.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.62 108.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -106.19 114.6 62.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 49.0 m-85 -115.52 123.43 48.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.78 159.04 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.47 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -117.31 153.89 32.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.64 178.5 48.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 23' ' ' VAL . 17.9 m-30 -109.67 96.39 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.82 153.86 15.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.36 89.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.85 -173.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 71' ' ' VAL . 1.2 t -76.18 153.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -115.78 171.05 8.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -84.05 21.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.79 45.27 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.28 131.13 56.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.03 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -76.49 123.19 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.627 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.51 137.74 52.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.1 145.98 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.536 ' CZ ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -137.51 -157.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 73.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 59.08 45.09 95.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.3 t -151.28 150.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 139.56 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 t -139.66 142.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -145.47 156.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.59 ' HB ' ' CE2' ' A' ' 8' ' ' PHE . 4.6 mp -142.06 138.6 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -60.29 160.48 17.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.449 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -83.77 -22.48 31.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -89.2 -18.0 27.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HE1' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.9 -49.35 93.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.92 3.14 5.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CD1' ' OH ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -101.19 -41.55 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.584 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 12.2 m -123.96 50.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -92.1 131.84 37.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.56 62.34 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.33 -179.12 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -136.32 153.23 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.449 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -136.33 118.73 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -95.87 112.39 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 30.5 t80 -85.49 124.5 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' GLY . 54.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -93.14 114.04 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.449 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 3.6 m -122.8 126.2 46.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.26 129.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.96 136.25 44.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -129.23 128.35 23.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.602 ' O ' ' CE1' ' A' ' 63' ' ' PHE . 2.6 t80 -94.4 125.46 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mm -85.85 110.24 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 25.7 t80 -155.9 151.3 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -132.43 109.56 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.567 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -111.38 147.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.88 177.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.43 -21.92 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -47.29 76.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.31 -56.44 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.581 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -55.06 -44.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.0 -40.05 83.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' OE2' ' CE2' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -56.21 -46.99 79.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mm -55.21 -38.6 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -64.95 -40.88 95.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -53.45 -50.53 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.0 -24.03 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.507 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.39 -51.74 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -36.17 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -6.79 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -138.1 15.58 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ALA . 16.7 t30 41.59 45.02 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 2.9 mt -96.87 107.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.08 4.99 17.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.8 68.73 8.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.0 115.73 4.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.425 ' CG1' ' HB2' ' A' ' 69' ' ' LYS . 25.3 mt -101.03 95.79 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -101.29 152.64 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -125.67 143.94 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.46 HD12 ' CD2' ' A' ' 85' ' ' LEU . 5.8 tp -90.34 145.3 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -141.18 163.26 33.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 79' ' ' TYR . 2.1 t -102.02 130.56 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.59 92.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 96' ' ' PHE . 23.2 mp0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.555 ' CE2' HG13 ' A' ' 80' ' ' VAL . 7.0 m-85 -104.61 135.41 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.7 159.75 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.472 ' HB2' ' CE2' ' A' ' 87' ' ' TYR . 1.4 mtt -113.3 157.04 22.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.41 131.25 1.53 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 29' ' ' ILE . 9.1 t80 -68.55 128.37 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.793 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 7.4 t70 -88.66 175.22 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.65 -40.97 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -164.78 -177.57 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -83.3 156.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.83 169.99 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -87.35 23.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.96 63.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 135.98 38.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.462 ' N ' ' HD1' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -67.39 90.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -76.59 117.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -115.52 117.48 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.75 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 1.1 m-30 -119.14 -165.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.23 70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.71 20.4 71.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 69' ' ' LYS . 64.2 t -138.61 165.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HB2' ' CG1' ' A' ' 33' ' ' ILE . 2.5 mttt -110.93 148.1 33.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' CE2' ' A' ' 65' ' ' TYR . 91.6 t -142.17 150.87 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -146.87 155.22 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.512 ' HB ' ' CD2' ' A' ' 8' ' ' PHE . 5.1 mp -143.12 140.05 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.12 163.05 8.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.47 8.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.433 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -80.54 -20.33 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -88.6 -18.03 28.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.581 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.79 -50.57 86.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.0 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.409 ' CD2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -107.63 -36.03 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' ' 48' ' ' TYR . 30.9 m -126.41 50.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -97.29 134.55 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.28 62.54 4.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 -179.98 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -136.19 143.98 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -128.94 116.66 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.499 ' OD2' ' CG2' ' A' ' 97' ' ' THR . 2.9 p-10 -95.97 105.75 17.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 50' ' ' MET . 1.1 t80 -85.49 124.66 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' GLY . 25.5 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 47' ' ' GLN . 3.1 p90 -81.3 143.83 31.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.499 ' CG2' ' OD2' ' A' ' 86' ' ' ASP . 1.3 m -159.53 138.29 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 99' ' ' ARG . 6.5 mt -122.88 139.56 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.416 ' N ' HG22 ' A' ' 98' ' ' ILE . 13.5 mtt180 -126.97 97.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.53 137.71 76.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.632 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 5.7 p90 -106.77 141.07 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mm -86.87 107.8 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -161.85 152.68 17.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -123.84 135.78 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.52 134.92 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -58.6 172.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.1 m-20 -75.88 -26.34 56.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -65.01 -46.59 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -59.39 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.14 -48.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 63.8 mt-10 -51.09 -51.35 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE1' ' CE2' ' A' ' 87' ' ' TYR . 1.3 tt0 -45.6 -49.44 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.2 mp -66.66 -41.71 88.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -44.22 92.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -48.15 42.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG12 ' CD1' ' A' ' 52' ' ' PHE . 2.5 t -50.81 -56.27 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -60.29 -43.25 96.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.96 -35.06 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.38 -6.77 54.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -116.74 8.69 13.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 62.64 33.43 15.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.4 mt -99.44 145.31 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.13 6.56 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.29 66.87 7.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 160.21 40.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.4 113.55 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 38.1 tp -92.59 114.52 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -109.83 117.93 35.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.76 112.59 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.76 154.41 30.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' CE2' ' A' ' 48' ' ' TYR . 92.3 t -85.28 132.95 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.5 t -116.94 84.95 16.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 56.6 m-85 -94.37 118.58 31.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.579 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -82.01 158.92 23.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.539 ' HG3' ' CD2' ' A' ' 87' ' ' TYR . 1.4 mmm -107.97 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.32 -172.47 44.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -137.45 123.64 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -114.68 174.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.12 44.26 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 t -164.86 152.49 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 57' ' ' GLU . 1.3 t -95.45 154.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' N ' HG12 ' A' ' 56' ' ' VAL . 2.8 mm-40 -98.81 170.66 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 45.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 66.85 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -125.66 126.11 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 8' ' ' PHE . 96.7 m-70 -64.08 104.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.0 128.44 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -118.31 134.67 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -91.81 106.74 18.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -99.52 -160.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.88 70.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.57 33.7 60.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -147.87 157.68 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -119.19 143.1 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 34' ' ' LEU . 12.4 t -129.96 149.19 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.2 m -145.34 151.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ASP . 12.0 mt -145.6 120.66 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ILE . 3.0 m-20 -39.48 158.43 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.51 16.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -88.29 -29.99 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.8 p -89.26 -18.67 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.514 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -56.59 -49.7 92.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.6 Cg_endo -74.95 1.18 7.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 75' ' ' PHE . 12.9 m-85 -107.61 -19.98 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.647 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 30.3 m -135.74 47.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -100.69 140.22 35.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.11 60.88 5.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.18 158.31 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.95 134.24 44.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 0.8 OUTLIER -120.68 106.8 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.92 101.34 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.709 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 3.8 t80 -85.28 110.93 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 9.5 m-85 -76.68 120.74 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 127.6 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 85' ' ' LEU . 1.5 tt -126.41 123.24 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.78 129.77 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.97 146.77 52.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 15.3 p90 -120.72 124.77 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.91 135.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -159.63 127.75 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -93.08 114.7 27.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -131.45 125.55 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 p -58.69 151.06 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.61 -28.05 43.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -39.51 94.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -66.43 -58.2 5.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.576 HG22 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -54.59 -46.93 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -57.01 -40.51 76.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -47.26 -32.99 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 2.4 mp -76.55 -42.68 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -51.54 -38.54 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -48.01 21.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.6 t -57.67 -39.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.29 -41.03 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.91 -47.11 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.73 -13.28 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 23' ' ' VAL . 83.4 m-20 -109.84 -0.4 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.8 t30 52.37 41.54 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.4 mt -99.93 144.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.77 4.25 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.72 66.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 118.24 5.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mt -105.53 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 2.3 mp -98.51 142.5 30.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 20.3 ttp180 -107.98 146.86 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -114.92 110.77 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 171.45 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -80.65 125.65 39.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -126.52 124.9 24.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 96' ' ' PHE . 1.2 pp0? . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 10.2 m-85 -114.75 116.16 28.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.09 159.21 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -125.47 161.81 26.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . -177.4 134.52 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.474 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 33.6 p90 -68.78 125.11 25.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASP . 16.6 t0 -106.71 175.14 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.4 p-10 -39.68 -52.31 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 t -174.41 -176.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.81 155.73 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -81.26 171.04 15.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.95 23.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.87 56.01 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -120.39 134.73 55.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.604 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 2.8 m-70 -62.94 85.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.482 ' CG2' HG11 ' A' ' 71' ' ' VAL . 2.5 p -89.11 134.94 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.629 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.52 152.69 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -98.16 118.41 34.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CE1' HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -107.99 -164.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.75 70.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.81 -4.57 60.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 58.6 t -106.85 163.71 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 1.4 mttp -124.83 148.8 48.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 71' ' ' VAL . 25.5 t -146.62 159.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.482 HG11 ' CG2' ' A' ' 62' ' ' VAL . 1.5 m -144.43 159.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.508 HG13 ' CZ ' ' A' ' 8' ' ' PHE . 8.9 mt -147.51 129.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.09 153.57 0.51 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.472 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -90.42 -29.48 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -89.85 -19.37 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.537 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 4.0 mmm -57.5 -48.77 96.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.97 1.6 7.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.21 -0.94 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 4.4 m -151.77 22.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -44.72 124.65 4.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 43.19 28.72 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.44 162.67 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -110.13 104.8 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.42 108.05 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -96.81 100.78 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 50' ' ' MET . 1.4 t80 -85.23 127.18 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD2' ' NE2' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -129.06 128.39 43.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.3 m -149.83 119.25 6.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.436 HD13 ' CE1' ' A' ' 48' ' ' TYR . 3.1 tt -121.12 143.03 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 127.64 45.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -98.19 141.76 23.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 7.7 pt20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.606 ' CD1' ' HE3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -100.67 150.6 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.55 131.79 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.486 ' CG ' HD11 ' A' ' 72' ' ' ILE . 18.9 t80 -159.46 139.16 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -135.07 115.77 13.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG21 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -121.95 139.62 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.6 p -62.29 155.2 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.77 -32.16 69.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -65.17 -42.08 94.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' CB ' HG21 ' A' ' 12' ' ' VAL . . . -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.564 HG22 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -66.22 -50.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.47 -46.62 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.1 tp10 -49.36 -33.29 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.521 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mm -70.83 -45.23 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -65.41 -34.76 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -76.15 -34.69 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -72.44 -49.41 33.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -18.13 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.57 -10.72 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -120.56 0.76 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.09 43.1 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 mt -99.43 139.62 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.28 4.88 18.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -151.71 65.65 6.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.02 123.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 mt -98.1 101.02 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD13 ' CG ' ' A' ' 50' ' ' MET . 1.7 tp -90.74 114.62 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 2.9 ptm180 -102.05 122.31 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.616 ' CG2' ' CD2' ' A' ' 48' ' ' TYR . 1.6 mp -89.01 108.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.95 155.0 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG22 ' CE2' ' A' ' 48' ' ' TYR . 95.0 t -76.78 156.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.4 t -129.29 131.63 23.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.616 ' CD2' ' CG2' ' A' ' 36' ' ' ILE . 9.7 m-85 -83.34 145.33 29.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -91.53 159.31 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.549 ' HB2' ' CE1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -108.1 146.84 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' CA ' ' HE3' ' A' ' 50' ' ' MET . . . -176.67 174.8 47.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -117.88 125.66 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.958 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.92 175.87 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -32.75 18.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -165.92 172.06 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 57' ' ' GLU . 1.4 t -80.65 155.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 56' ' ' VAL . 18.7 mt-10 -85.39 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.9 28.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -116.86 166.66 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.761 ' CE1' ' CD1' ' A' ' 63' ' ' PHE . 21.4 t60 -78.46 116.85 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.581 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 t -94.96 98.97 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.761 ' CD1' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -116.9 110.34 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.76 124.46 27.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' HG22 ' A' ' 17' ' ' VAL . 5.1 m-85 -109.25 -167.2 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.13 70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.29 29.81 52.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 69' ' ' LYS . 65.8 t -148.64 160.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' HG13 ' A' ' 68' ' ' VAL . 2.3 ttmt -124.52 156.76 36.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -140.03 156.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -146.34 111.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.486 HD11 ' CG ' ' A' ' 10' ' ' PHE . 2.7 mt -95.49 161.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 77' ' ' MET . 62.9 m-20 -78.11 149.25 76.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -22.89 14.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.537 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -94.96 -24.88 16.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m -91.4 -26.69 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.606 ' HE3' ' CD1' ' A' ' 8' ' ' PHE . 8.9 mmm -58.18 -45.5 99.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.06 2.79 6.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 -20.64 16.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 2.5 m -141.76 43.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 3.9 p30 -47.85 137.37 9.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ASN . . . 36.99 32.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.76 -179.02 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -131.22 110.03 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 1.1 tp -95.23 106.21 18.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -98.7 102.24 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 18.4 t80 -85.8 125.32 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 5.9 m-85 -128.07 116.76 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.82 127.19 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 85' ' ' LEU . 48.9 mm -116.31 123.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 99.65 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -69.64 154.74 94.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 4.9 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -73.23 160.03 32.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mm -81.84 114.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 83' ' ' ALA . 35.6 t80 -157.03 131.75 8.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.56 124.38 41.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.01 137.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 p -55.2 147.89 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.428 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -32.89 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.64 94.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.01 -48.89 69.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -65.66 -53.01 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' HG11 ' A' ' 17' ' ' VAL . 31.6 tt0 -52.98 -32.66 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.561 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 8.0 tp10 -64.33 -36.09 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 32' ' ' PRO . 1.8 mm -67.66 -33.09 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -70.54 -40.42 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -51.08 43.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.84 -40.96 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -71.87 -39.95 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -20.16 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.235 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.82 -18.66 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -108.22 13.22 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 55.3 32.32 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -99.41 148.44 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -127.94 7.5 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.45 66.08 6.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HB2' ' CG2' ' A' ' 20' ' ' ILE . 18.2 Cg_endo -75.04 139.58 24.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.5 mt -104.47 112.98 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 50' ' ' MET . 54.4 tp -92.92 112.3 24.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -103.31 126.52 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.6 116.06 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.36 154.75 45.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -96.81 120.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 7.1 p -143.8 141.39 18.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 39' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' HB3' ' CD1' ' A' ' 98' ' ' ILE . 9.3 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -78.8 118.48 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -80.84 159.06 25.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.594 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 7.5 mtp -107.11 174.92 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.86 -171.86 40.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.34 127.79 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.04 174.96 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -136.22 65.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -179.66 168.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.5 155.93 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.48 170.52 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.85 24.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.25 66.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' VAL . 3.5 t0 -123.26 145.08 48.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.608 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -65.8 74.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.583 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.4 p -75.43 107.73 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -115.94 144.2 44.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -87.73 140.28 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CD2' HG22 ' A' ' 70' ' ' VAL . 9.2 m-85 -128.64 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -66.48 70.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 69.39 39.39 80.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -150.22 152.04 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.06 143.05 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.551 HG22 ' CD2' ' A' ' 65' ' ' TYR . 5.8 t -138.23 154.96 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.54 150.71 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 61' ' ' HIS . 11.0 mt -144.21 145.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.75 164.31 51.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.43 14.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -80.99 -14.31 58.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -88.85 -19.66 25.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.593 ' HG2' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.36 -51.2 83.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.04 3.33 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CE2' HG13 ' A' ' 38' ' ' VAL . 2.1 m-85 -113.16 -27.83 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.4 m -131.77 46.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 9.5 p-10 -61.02 101.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.18 11.27 31.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.535 ' O ' ' CD1' ' A' ' 10' ' ' PHE . . . -75.59 155.11 36.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.2 144.33 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.29 107.72 18.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -96.51 99.05 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 53.3 t80 -85.22 115.54 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 96' ' ' PHE . 26.9 p90 -72.87 117.65 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -124.47 148.03 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 47' ' ' GLN . 4.8 mp -139.09 145.94 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -122.88 152.04 41.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -132.48 128.16 20.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -72.32 156.23 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -85.54 138.78 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.672 ' CE1' ' CD1' ' A' ' 72' ' ' ILE . 7.9 t80 -158.94 146.34 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -133.53 116.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -130.41 132.45 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.4 168.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -27.2 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.4 79.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -59.65 -50.33 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.646 ' CG2' ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -60.81 -44.48 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.72 -41.91 87.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 22' ' ' LYS . 9.0 tp10 -53.43 -28.01 27.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.1 mm -79.71 -36.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -53.65 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.6 -37.64 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 19' ' ' GLU . 14.5 t -67.58 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -52.77 -50.86 62.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -38.1 15.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.27 -22.37 41.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -95.99 -0.57 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 61.13 27.77 17.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.77 144.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.33 4.38 15.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -145.37 69.16 13.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.03 125.58 9.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.83 95.41 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -91.37 114.05 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -99.89 132.25 45.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.567 HD13 ' CD1' ' A' ' 48' ' ' TYR . 15.2 mm -88.34 117.34 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -126.89 113.53 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 76' ' ' SER . 58.9 t -45.88 132.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.1 t -125.21 81.5 63.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CD ' ' C ' ' A' ' 47' ' ' GLN . 3.1 pp0? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD1' HD13 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -118.65 144.02 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -84.88 159.05 20.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.475 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 6.6 mtt -103.36 159.18 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.86 137.26 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.78 131.16 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.17 175.13 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.58 -43.81 84.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 t -164.36 -178.66 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG2' HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -78.88 156.2 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.8 170.62 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 21.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.33 54.67 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -120.11 142.88 48.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 67.3 m-70 -64.84 90.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.543 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -75.35 111.54 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 131.65 56.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -82.07 128.37 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.646 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 1.9 m-85 -123.57 -164.88 1.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.43 72.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 67.73 39.53 90.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -150.0 158.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.24 109.91 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.641 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 60.3 t -102.42 147.46 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 56' ' ' VAL . 24.4 m -144.63 158.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.672 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 7.5 mt -145.41 140.43 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.97 155.05 56.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.7 17.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.465 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 82.0 m-85 -87.37 -28.81 21.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.423 ' HB3' ' CG2' ' A' ' 38' ' ' VAL . 88.0 p -89.88 -18.16 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.572 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -55.93 -47.84 97.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.05 4.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.509 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -104.89 -1.84 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 79' ' ' TYR . 12.5 m -160.07 38.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.6 p-10 -44.42 112.69 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.75 27.16 0.32 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 81' ' ' ASN . . . -75.82 172.31 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 0.797 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -101.76 130.04 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -116.69 105.38 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.31 97.56 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -85.82 106.17 16.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.533 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 1.5 m-85 -81.11 117.35 21.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 0.775 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 122.96 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.469 HD12 ' CG1' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -123.01 124.46 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -114.87 108.83 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -110.81 135.34 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.952 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.593 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 26.5 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.641 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 79.5 m-85 -74.36 161.07 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.29 110.75 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -159.39 135.04 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -137.37 115.14 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 3.3 p -102.94 147.46 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.6 p -58.47 154.16 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.41 -25.06 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -65.43 -43.35 90.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -58.53 -59.53 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' CE2' ' A' ' 65' ' ' TYR . 2.1 t -56.4 -41.89 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.04 -36.34 81.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 6.3 tp10 -59.98 -55.8 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 5.0 mp -62.28 -31.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -60.87 -49.6 76.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.28 -45.47 39.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.553 ' CG1' ' CE2' ' A' ' 52' ' ' PHE . 2.4 t -53.86 -54.8 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 32' ' ' PRO . . . -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -57.12 -37.08 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -2.02 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -111.4 4.61 19.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.31 29.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.9 mt -99.43 146.08 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.2 5.56 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -151.85 66.36 6.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 163.16 35.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.17 133.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' CA ' ' HE1' ' A' ' 50' ' ' MET . 0.8 OUTLIER -90.69 118.51 30.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -114.01 114.31 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 mp -87.92 116.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.52 149.89 49.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 79' ' ' TYR . 6.8 t -101.38 110.84 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.52 136.87 22.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.445 1.76 . . . . 0.0 110.994 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 49.3 m-85 -106.45 115.11 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.72 159.16 25.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -94.22 172.07 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.17 95.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.592 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 32.8 p90 -68.08 108.47 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -110.98 174.18 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -126.5 57.69 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -165.8 179.02 6.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -139.36 153.44 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -93.34 170.94 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.05 18.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.52 41.58 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -96.73 141.14 30.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.679 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -75.9 107.1 7.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.59 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.1 t -76.45 100.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.25 111.54 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.57 125.17 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -111.59 -156.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -66.49 69.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 86.81 -29.17 5.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 t -94.95 156.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.08 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.7 t -124.19 155.68 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.612 ' C ' HG13 ' A' ' 72' ' ' ILE . 1.2 m -145.05 151.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.612 HG13 ' C ' ' A' ' 71' ' ' VAL . 2.1 mt -139.15 163.41 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.32 161.48 42.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.96 16.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.426 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 2.5 t80 -94.21 -9.57 35.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' VAL . 9.8 t -88.92 -19.54 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -56.91 -50.98 85.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.08 0.68 8.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -116.04 -11.98 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.647 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 7.7 m -145.96 41.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -86.79 121.49 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 58.89 12.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.58 152.87 27.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -120.13 108.6 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.39 103.48 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 50' ' ' MET . 8.6 t80 -85.72 123.31 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -124.29 128.97 49.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.975 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -140.36 143.7 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 48' ' ' TYR . 20.5 mm -120.22 134.86 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.23 143.61 46.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -122.06 149.64 54.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.519 0.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 171.56 171.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.52 144.57 51.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 80.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.0 130.28 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.38 126.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.94 99.76 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.639 ' CD1' ' CE ' ' A' ' 77' ' ' MET . 0.5 OUTLIER -78.23 130.23 36.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 13.5 mm -73.92 110.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 2.5 t80 -156.93 149.66 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -135.4 110.81 9.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -113.28 142.67 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.9 p -61.82 178.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -25.54 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -65.74 -49.05 69.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' CB ' HG23 ' A' ' 12' ' ' VAL . . . -52.79 -57.7 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.94 -43.55 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.58 -33.37 72.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.579 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 2.7 tp10 -66.55 -38.05 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -74.05 -42.0 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -64.07 -40.28 95.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -69.54 -51.12 38.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.22 -47.53 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -67.95 -42.5 80.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -56.4 -33.7 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.52 -8.41 59.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 35.8 m-80 -108.36 -10.63 15.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 10.9 t30 78.44 28.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mt -99.45 146.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.11 9.45 11.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.71 66.82 7.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.02 130.07 12.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.25 115.41 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 50' ' ' MET . 15.4 tp -91.91 115.58 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -106.29 144.9 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 48' ' ' TYR . 9.8 mm -103.07 131.33 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 118.49 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.53 129.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -126.43 136.17 28.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.98 -111.04 1.04 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.31 -141.66 6.94 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.3 p -58.55 -32.65 69.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.23 141.39 3.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.72 52.15 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -94.92 134.42 37.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE1' ' CD1' ' A' ' 36' ' ' ILE . 8.9 p90 -78.22 138.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . . . -80.71 159.36 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.466 ' SD ' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -107.63 173.39 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.38 172.36 43.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -109.42 120.92 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.01 175.89 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.82 -45.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 t -71.0 -178.98 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.89 155.58 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 170.18 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.08 47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.49 72.72 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 143.44 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.603 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 11.3 m80 -64.97 88.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.535 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -78.52 113.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 2.7 t80 -116.17 118.82 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -67.94 136.24 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.0 m-85 -112.43 -167.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.53 70.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.71 36.37 43.03 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 48.1 t -153.33 154.71 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 68' ' ' VAL . 7.5 mttt -96.75 147.1 24.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 65' ' ' TYR . 98.5 t -145.92 152.22 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.419 ' N ' HG12 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -144.69 158.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 HG13 ' CG1' ' A' ' 36' ' ' ILE . 5.3 mp -143.86 130.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.13 166.4 2.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.11 14.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.445 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.2 m-85 -87.79 -30.82 19.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.0 p -89.17 -18.24 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.639 ' CE ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.94 -49.36 93.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.02 1.94 7.2 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.23 4.3 33.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.522 HG12 ' CZ ' ' A' ' 48' ' ' TYR . 32.7 m -151.85 33.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.27 104.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.17 16.3 13.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.47 173.8 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -124.88 133.32 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -117.07 108.74 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -97.41 102.28 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.579 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 1.5 t80 -85.28 123.71 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.7 t -83.8 157.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.01 120.32 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' PHE . 60.0 m-20 -165.33 177.76 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.2 t80 35.06 -140.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.93 27.37 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.25 -100.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.35 -144.27 8.87 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -138.55 -178.08 15.92 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -125.6 113.33 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 111.001 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -130.92 136.14 48.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 48' ' ' TYR . 4.3 tt -135.18 136.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.53 138.69 54.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -123.85 122.87 26.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.491 0.186 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.31 178.88 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -145.35 147.1 31.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -124.9 129.72 50.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.01 123.12 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' CA ' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -133.07 41.42 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.04 105.82 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.2 p90 -95.91 141.79 28.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.51 109.51 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 26.2 t80 -160.59 151.21 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -127.56 128.12 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.58 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -124.3 140.88 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -63.58 155.06 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 2.7 m-20 -61.71 -23.14 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' HD2' ' CG2' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -64.52 -39.48 93.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -71.9 -50.94 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.574 HG23 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -61.57 -58.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -54.81 -24.17 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 20.4 tp10 -75.16 -17.87 60.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 52' ' ' PHE . 4.1 mm -79.31 -55.3 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.37 -22.36 42.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -50.73 30.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.567 ' CG1' ' CZ ' ' A' ' 52' ' ' PHE . 1.5 t -69.83 -24.48 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.26 -51.05 14.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -15.92 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 0.52 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -138.13 15.58 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 53.17 43.21 31.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -99.1 140.44 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -120.15 5.74 10.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -151.35 66.04 6.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.0 mt -92.68 96.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -92.03 118.86 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -108.54 139.84 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG22 ' CD2' ' A' ' 48' ' ' TYR . 2.0 mp -96.34 108.8 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -121.87 152.5 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG22 ' CE2' ' A' ' 48' ' ' TYR . 5.1 t -70.32 157.73 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -150.79 108.96 3.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 69.7 5.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -58.04 2.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.29 158.14 23.49 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.09 -49.06 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -46.91 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.12 -98.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER 57.26 106.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 0.787 . . . . 0.0 111.061 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -134.64 152.71 51.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.535 ' CE2' HG22 ' A' ' 38' ' ' VAL . 32.1 m-85 -83.08 112.96 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.517 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -80.56 159.3 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.477 ' SD ' ' CE1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -91.9 174.86 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.14 140.53 3.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 20' ' ' ILE . 4.3 m-85 -112.02 113.62 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.08 175.3 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -129.54 62.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 56' ' ' VAL . 1.2 t -178.36 172.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.416 ' N ' ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -134.95 155.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -89.26 170.78 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.49 29.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.1 60.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.64 126.47 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.524 ' HA ' ' CA ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER -66.66 101.39 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.83 123.46 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.585 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -115.87 123.75 48.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.44 127.8 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 17' ' ' VAL . 2.5 m-85 -113.75 -165.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.15 71.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.25 35.71 60.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 69' ' ' LYS . 78.9 t -150.49 151.96 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 68' ' ' VAL . 3.9 mttp -108.04 145.43 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -143.88 153.26 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' HIS . 1.8 m -144.78 162.07 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 8' ' ' PHE . 5.4 mt -144.98 125.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -47.27 158.72 0.45 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.09 13.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 4.0 m-85 -89.37 -26.66 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 -19.74 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.496 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.63 -50.7 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.01 1.06 8.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -27.45 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.76 31.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.81 114.16 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.94 -34.66 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.2 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.63 137.12 39.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -110.11 109.55 20.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER -96.34 129.36 43.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 49.2 t80 -85.1 124.92 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.67 152.78 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 15' ' ' LYS . 12.6 t -127.19 119.24 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' PHE . 64.0 m-20 -165.08 -174.28 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.25 -140.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.38 25.57 3.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.18 -102.99 0.16 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.19 -146.57 9.99 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -161.5 -161.9 12.31 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -119.1 129.98 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 86' ' ' ASP . 1.2 m -143.2 156.7 44.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.13 141.87 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.77 97.31 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -85.83 119.01 71.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.485 0.183 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.67 90.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -73.45 136.85 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -102.41 104.73 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.88 119.99 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -131.61 52.7 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -121.69 100.83 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.618 ' O ' ' CZ ' ' A' ' 63' ' ' PHE . 2.6 t80 -102.36 128.63 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.29 110.13 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 38.1 t80 -159.04 146.8 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -125.09 112.73 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -110.67 141.18 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -58.55 170.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -27.34 55.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.06 -45.97 83.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 19' ' ' GLU . . . -57.22 -59.6 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.508 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 1.7 t -55.33 -44.06 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.29 -23.22 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.571 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 6.5 tp10 -82.51 -31.3 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 20' ' ' ILE . 2.9 mm -70.38 -51.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -22.64 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -74.85 -51.15 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 52' ' ' PHE . 1.6 t -61.74 -38.83 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -66.37 -51.06 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.99 -26.74 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.46 -12.58 59.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -116.06 9.75 14.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.76 20.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -98.75 136.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.48 10.18 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -149.73 66.79 8.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.99 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mt -92.7 106.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 50' ' ' MET . 1.3 tp -91.77 128.17 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -110.92 126.79 55.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.29 109.07 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 144.8 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -73.35 154.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -130.3 92.4 35.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 81.95 2.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.52 130.15 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.93 158.92 28.47 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -50.94 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -106.03 -40.75 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.956 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.0 133.21 52.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -169.3 99.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -136.26 156.49 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 31.3 m-85 -91.47 122.54 34.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.15 159.17 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 9.6 mtt -109.9 174.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.41 -170.93 39.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 p90 -138.5 126.67 22.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.89 172.68 9.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -125.67 -45.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -67.68 179.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -141.33 155.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -87.9 170.86 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -83.3 40.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.72 66.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -108.21 142.0 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.01 81.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.512 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -76.74 114.62 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -117.35 120.46 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.96 134.06 53.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.585 ' CE2' HG23 ' A' ' 70' ' ' VAL . 1.9 m-30 -113.76 -167.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.62 70.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 74.59 36.33 49.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 38.8 t -152.87 161.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 0.8 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 2.5 mttt -102.56 147.95 26.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.585 HG23 ' CE2' ' A' ' 65' ' ' TYR . 46.9 t -146.24 158.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.56 154.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.549 HD11 ' CE2' ' A' ' 8' ' ' PHE . 4.6 mt -144.57 115.17 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 161.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.2 13.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 14.9 m-85 -80.72 -19.81 44.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -87.87 -18.49 29.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.08 -52.98 70.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -43.79 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.639 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 22.6 m -122.74 49.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 5.5 p-10 -79.54 100.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.94 -24.39 11.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.46 176.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 9.1 pt-20 -132.35 156.29 46.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 0.1 OUTLIER -135.64 107.75 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -97.08 123.72 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 3.8 t80 -85.42 138.27 32.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.519 ' CG1' ' OD1' ' A' ' 90' ' ' ASP . 71.9 t -93.98 143.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 17.7 t -128.44 110.7 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.519 ' OD1' ' CG1' ' A' ' 88' ' ' VAL . 1.5 m-20 -166.57 -149.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.0 -14.63 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.48 2.47 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 57.71 26.92 58.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.29 93.41 2.06 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -100.84 -166.93 28.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -128.57 147.81 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 m -153.52 144.36 22.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 85' ' ' LEU . 15.2 mm -109.17 139.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 2.2 mtt180 -127.27 96.95 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.88 117.38 24.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.19 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -134.53 85.49 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.39 133.12 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.35 79.99 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.54 121.89 22.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HG2' ' CD2' ' A' ' 61' ' ' HIS . 15.1 tt0 -177.69 130.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 15.4 tt0 -121.41 105.34 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.804 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -74.6 159.41 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.12 110.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 72' ' ' ILE . 20.4 t80 -159.49 137.37 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HB2' ' CG ' ' A' ' 84' ' ' GLU . 49.0 mmtt -135.99 118.92 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.02 134.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.6 p -55.28 155.81 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -62.94 -24.69 67.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -63.69 -41.62 98.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 19' ' ' GLU . . . -72.08 -51.15 22.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 65' ' ' TYR . 1.4 t -60.2 -45.95 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -73.86 -5.62 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.4 tp10 -90.2 -17.54 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' CD1' HD12 ' A' ' 34' ' ' LEU . 1.5 mm -88.06 -31.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -60.0 -36.96 78.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -75.02 -28.65 60.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 1.4 t -77.57 -38.66 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -40.44 55.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -51.72 -44.88 63.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -15.74 63.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.52 8.82 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 57.99 25.02 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -99.47 136.77 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.75 8.51 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.18 75.08 8.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.3 38.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.7 mt -130.59 112.69 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD12 ' CD1' ' A' ' 20' ' ' ILE . 2.1 mm? -88.95 110.74 21.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -99.02 122.59 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.456 ' CG2' HG23 ' A' ' 72' ' ' ILE . 1.1 mp -88.1 128.17 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -150.89 123.95 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.07 120.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -96.49 117.01 66.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 72.09 4.75 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.63 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 115.31 0.95 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.82 -10.03 59.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -106.98 -42.86 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.82 113.14 2.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -157.26 136.74 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -135.04 163.72 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 92.4 m-85 -88.44 102.81 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -82.56 138.75 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.401 ' CE ' HD11 ' A' ' 20' ' ' ILE . 4.7 ptt? -121.9 165.75 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.54 161.83 27.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 33.6 p90 -69.67 115.22 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.14 174.61 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.28 -41.95 84.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -164.63 -178.32 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.7 155.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.05 169.87 12.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 20.94 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.23 47.45 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.51 125.81 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.804 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 3.5 m80 -64.91 101.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.46 119.78 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -115.47 113.34 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.05 132.87 45.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -120.29 -162.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.96 70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.98 17.25 80.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.99 159.45 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -109.99 146.52 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG23 ' CE2' ' A' ' 65' ' ' TYR . 10.0 t -136.83 148.8 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' C ' HG13 ' A' ' 72' ' ' ILE . 5.3 m -144.25 159.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' A' ' 10' ' ' PHE . 5.8 mt -143.71 132.82 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.53 158.5 14.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.75 13.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.6 m-85 -94.47 -27.2 16.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.3 m -89.61 -20.51 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.571 ' HE2' ' CZ ' ' A' ' 8' ' ' PHE . 4.0 mmm -58.56 -49.6 92.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.97 2.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -19.8 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 3.0 m -126.1 2.32 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' MET . 21.5 t-20 -53.41 153.16 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 40.01 50.08 3.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.147 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.99 154.91 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 1.4 mt-10 -109.43 160.01 16.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.54 108.87 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' THR . 3.0 t0 -95.25 122.04 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 75.8 t80 -85.04 128.05 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.505 ' CG1' ' OD1' ' A' ' 90' ' ' ASP . 16.1 t -72.51 154.7 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.95 120.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' OD1' ' CG1' ' A' ' 88' ' ' VAL . 5.7 m-20 -165.58 170.87 13.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.35 -139.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.83 25.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.28 101.41 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.62 -165.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -113.56 -154.7 11.44 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.2 m-85 -125.1 137.62 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.4 m -137.45 136.04 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.92 140.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -123.22 103.83 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -90.39 148.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.522 0.201 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -135.81 132.6 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.96 156.82 18.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.46 79.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.78 125.4 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.15 118.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -115.28 98.59 6.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE1' ' ND1' ' A' ' 61' ' ' HIS . 37.6 m-85 -81.46 160.86 23.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -86.21 117.28 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 2.5 t80 -159.68 113.12 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -105.29 131.63 52.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -126.32 130.18 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.8 p -53.21 149.12 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.49 -26.33 42.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG2' ' CG2' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -64.22 -40.56 96.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -64.41 -58.05 7.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.548 HG22 ' CD1' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -55.71 -51.31 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -51.75 -40.17 59.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 8.7 tp10 -58.95 -24.94 63.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mm -84.26 -41.48 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -66.75 -42.54 86.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.6 75.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.74 -59.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -57.88 -35.24 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.98 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -86.36 -3.92 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -121.18 16.7 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 51.13 30.7 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.6 mt -91.69 140.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.26 7.81 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.3 66.16 6.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.455 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 131.08 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 53' ' ' ASP . 13.3 mt -102.2 104.43 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 50' ' ' MET . 40.4 tp -92.39 122.46 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 22.5 ptt85 -115.12 128.28 56.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.38 109.94 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 157.66 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.4 t -83.87 118.7 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.56 88.53 24.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.92 4.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.29 -65.9 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.19 136.0 24.71 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.0 t -54.69 -48.08 72.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.44 14.54 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.61 51.12 0.87 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 48.7 p90 -84.94 111.18 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' PHE . 21.2 mp0 -147.04 174.26 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.644 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 20.4 m-85 -89.17 119.58 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 159.25 19.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.608 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 10.5 mtt -98.63 175.28 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.44 168.71 40.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -131.81 98.13 4.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 1.1 m-20 -130.88 125.98 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -46.34 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.3 t -42.61 160.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.48 155.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.57 170.7 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.67 24.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.47 53.59 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' HB ' ' A' ' 71' ' ' VAL . 1.1 m-20 -97.41 143.48 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.63 ' ND1' ' CE1' ' A' ' 8' ' ' PHE . 7.9 m-70 -74.07 102.55 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -76.11 115.08 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.623 ' CE1' ' CD1' ' A' ' 72' ' ' ILE . 3.2 m-85 -116.08 112.84 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.37 128.04 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CD1' HG22 ' A' ' 17' ' ' VAL . 2.7 m-85 -122.57 -166.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.15 70.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.42 35.8 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.2 t -145.63 145.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 146.08 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' A' ' 65' ' ' TYR . 2.6 t -132.69 158.28 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' CG ' ' A' ' 60' ' ' ASP . 17.2 m -144.87 110.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.623 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 4.1 mt -94.72 171.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 160.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.19 15.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.448 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 6.1 m-85 -90.5 -8.51 50.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' VAL . 7.8 t -89.1 -25.8 21.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.498 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -57.42 -51.44 81.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.97 2.28 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.558 1.82 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -23.53 9.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.644 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 11.2 m -138.69 40.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -69.73 105.15 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.18 -4.75 61.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.28 169.78 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -126.96 139.64 52.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.55 107.43 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -97.19 104.81 16.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.608 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 12.1 t80 -85.62 132.31 34.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 t -86.1 154.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.446 ' CG2' ' HG2' ' A' ' 15' ' ' LYS . 49.9 t -127.34 123.31 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' PHE . 41.2 m-20 -165.35 -174.15 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.24 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.4 27.61 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.38 -111.38 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.3 -167.0 36.8 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.55 -170.89 12.08 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -120.44 139.61 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 m -157.56 143.7 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.52 144.99 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 100.8 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -73.3 131.61 82.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.51 0.195 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 175.97 -174.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -72.4 138.12 46.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -103.8 131.06 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.03 129.61 38.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -169.17 124.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.486 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -121.16 99.99 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -83.6 159.79 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.14 110.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -159.1 145.06 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mppt? -144.05 128.89 18.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG23 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -133.02 128.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.0 p -62.27 166.32 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -31.3 72.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -57.43 -44.41 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 12' ' ' VAL . . . -69.13 -51.49 37.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -55.69 -48.32 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.8 tm-20 -59.18 -45.06 92.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 3.6 tm-20 -46.0 -34.89 4.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.546 ' CG2' ' CD1' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -79.59 -35.87 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.6 mmtp -56.66 -34.46 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -74.99 -42.22 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.97 -40.28 88.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.41 -41.03 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -45.56 74.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.37 -19.84 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.87 4.18 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 t30 60.55 32.64 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.3 mt -94.57 136.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -114.26 5.08 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -151.47 72.4 8.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.06 122.46 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 mt -103.52 96.28 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' CD1' ' CG2' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.7 137.27 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' NH1' ' OE2' ' A' ' 57' ' ' GLU . 33.4 ttp180 -108.11 152.6 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 48' ' ' TYR . 6.0 mm -88.75 128.63 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 120.84 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.1 t -76.84 125.4 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -100.38 136.35 20.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.25 2.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.91 -57.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.78 102.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.6 p -73.45 -24.84 60.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -111.39 -32.11 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.5 106.74 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -68.21 102.54 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 115.91 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 51.9 p90 -81.2 115.96 20.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 96' ' ' PHE . . . -80.75 159.2 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.15 175.12 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.43 126.22 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 7.0 p90 -68.98 122.56 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -100.13 175.0 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -44.87 83.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 t -165.3 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' CG2' HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -81.25 155.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' NH1' ' A' ' 35' ' ' ARG . 18.8 mt-10 -79.26 170.98 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -85.33 23.73 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.4 55.22 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -123.24 136.01 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.786 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -65.13 97.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.69 115.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 8.4 t80 -116.32 120.49 39.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.5 126.58 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.6 ' CE1' ' CB ' ' A' ' 70' ' ' VAL . 4.3 m-85 -101.21 -168.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -67.38 70.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.9 34.08 35.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 60.5 t -153.34 159.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.9 154.86 18.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.6 ' CB ' ' CE1' ' A' ' 65' ' ' TYR . 22.2 t -153.38 161.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 1.2 m -146.81 116.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 10' ' ' PHE . 4.0 mt -94.42 138.94 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.67 159.03 80.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.48 12.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 7.4 m-85 -89.84 -29.48 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.2 t -88.32 -19.42 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.603 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.43 -52.13 76.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.0 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -97.97 -28.96 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG22 ' CE1' ' A' ' 10' ' ' PHE . 17.7 m -135.77 37.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -76.24 148.21 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.05 49.35 13.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.54 150.91 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.747 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -102.72 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.3 tp -121.41 106.29 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.97 131.09 45.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.531 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 4.2 t80 -85.91 130.44 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.6 t -100.52 146.66 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.37 111.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.66 -149.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.36 -15.27 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.67 15.92 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLY . . . 40.88 84.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . 36.49 88.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -109.49 -171.38 20.53 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CE1' ' HB1' ' A' ' 49' ' ' ALA . 20.7 m-85 -112.49 145.66 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 98' ' ' ILE . 3.1 m -145.62 143.64 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.562 HD13 ' CE2' ' A' ' 48' ' ' TYR . 49.3 mm -100.3 137.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.8 103.39 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.94 129.81 74.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.518 0.199 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 76.57 65.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.83 147.1 48.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 tm0? -122.05 146.81 46.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.3 100.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.487 ' CA ' ' HA ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -128.25 40.53 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.438 ' N ' ' HD1' ' A' ' 61' ' ' HIS . 45.7 tt0 -123.11 106.4 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.5 p90 -100.84 138.88 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mm -86.97 109.79 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 27.7 t80 -160.5 137.34 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -105.53 129.73 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' CG1' ' OH ' ' A' ' 65' ' ' TYR . 0.4 OUTLIER -125.02 137.31 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -57.94 170.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.37 -30.04 61.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -36.98 85.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.23 -55.17 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.64 ' CG2' ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -57.71 -46.06 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.76 -31.33 72.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 3.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CG2' ' CD2' ' A' ' 34' ' ' LEU . 2.2 mm -74.27 -33.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.31 -31.03 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -51.1 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.36 -30.78 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.96 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.0 -11.32 59.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.04 7.97 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.4 t30 44.55 40.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -99.66 127.11 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.29 7.42 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -151.24 66.18 7.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.96 120.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.97 96.1 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 50' ' ' MET . 1.6 mm? -95.34 139.55 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.0 tmm_? -120.6 143.01 48.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.6 mm -89.23 137.51 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -142.02 165.64 26.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -112.01 109.6 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 33.5 m -101.8 134.09 20.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 82.44 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.79 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.81 149.02 6.39 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.7 m -73.64 -43.17 60.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -45.28 62.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.49 59.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 60.85 100.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -136.27 161.68 35.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 44.5 m-85 -81.7 126.63 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . . . -104.68 159.04 16.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.554 ' HE1' ' CE2' ' A' ' 87' ' ' TYR . 17.5 ptp -100.61 173.78 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.16 113.21 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 54.9 p90 -68.9 121.27 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.34 175.23 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -18.29 46.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.3 177.44 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 p -95.52 154.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.8 170.55 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.96 23.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.58 61.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.51 134.34 49.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.487 ' HA ' ' CA ' ' A' ' 6' ' ' GLN . 98.5 m-70 -64.29 93.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.78 134.08 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -116.59 133.62 55.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.29 122.69 33.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.64 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 4.7 m-85 -115.83 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.99 72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.31 22.02 79.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.4 155.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -114.58 144.28 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -145.8 155.89 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG22 ' CG ' ' A' ' 35' ' ' ARG . 1.2 m -144.72 164.97 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.482 HD13 ' CD1' ' A' ' 8' ' ' PHE . 63.6 mt -146.7 117.11 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.3 m-20 -39.18 154.79 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.24 -27.73 21.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.0 m -88.77 -18.92 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.502 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.1 -51.14 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.96 1.8 7.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.22 -25.89 14.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.59 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 32.2 m -139.48 38.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 3.5 p30 -78.9 120.64 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.98 -32.58 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 177.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 29.8 tt0 -134.29 132.36 39.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.429 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 0.1 OUTLIER -110.34 113.87 26.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.466 ' O ' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -97.02 100.72 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.591 ' OH ' ' CE2' ' A' ' 96' ' ' PHE . 6.0 t80 -85.53 122.57 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.3 t -98.57 147.28 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 t -128.6 111.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -165.5 -151.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.12 -14.88 4.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.52 2.6 21.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.66 14.23 28.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.538 ' O ' ' CE1' ' A' ' 96' ' ' PHE . . . 125.97 80.46 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -69.38 115.7 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.591 ' CE2' ' OH ' ' A' ' 87' ' ' TYR . 25.0 m-85 -92.45 114.59 27.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 86' ' ' ASP . 7.4 t -145.78 138.27 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 84' ' ' GLU . 4.4 mp -120.86 138.0 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.51 104.47 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -53.07 153.85 5.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.53 0.205 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -114.06 -173.96 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.23 156.84 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -69.08 97.76 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.2 165.09 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.493 HE21 ' N ' ' A' ' 61' ' ' HIS . 5.6 pt20 -175.97 117.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.526 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 6.4 tt0 -121.51 99.47 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 4.8 m-30 -87.65 160.93 17.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -83.23 112.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -157.21 149.4 22.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -137.35 146.2 44.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.72 134.56 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.5 p -54.27 154.53 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -39.58 75.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -61.42 -43.7 98.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.83 88.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.638 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 1.2 t -66.8 -56.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -24.62 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -67.88 -18.59 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 2.1 mm -85.5 -40.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 39.0 mtmt -62.37 -42.52 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -60.96 -26.56 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG12 ' CD2' ' A' ' 52' ' ' PHE . 2.3 t -90.17 -33.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.24 -48.16 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.503 HE21 ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.79 -24.77 66.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.3 OUTLIER -80.48 -16.62 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -112.93 4.79 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 59.16 36.59 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.85 132.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.22 8.57 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -151.32 66.7 7.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.33 27.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 mt -124.66 100.42 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -92.39 131.87 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 3.6 ptt180 -110.1 146.54 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.25 109.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.83 157.3 37.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 t -94.19 137.89 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.9 107.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.19 -48.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -61.79 0.43 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -42.31 25.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -76.52 -42.86 41.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.13 180.0 16.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 13.0 t80 -84.84 104.61 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.75 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -145.84 161.74 39.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 7.2 m-85 -98.77 125.02 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.464 ' CB ' HD13 ' A' ' 34' ' ' LEU . 12.6 mtt -91.01 174.62 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.3 129.24 1.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 7.5 p90 -108.08 108.48 19.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -107.5 175.12 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -128.06 59.98 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.2 t -176.2 150.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.05 155.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.74 170.6 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -82.05 42.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.26 72.48 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -120.79 141.71 50.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 0.716 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.662 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -65.38 94.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.589 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.26 108.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.662 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -116.66 120.99 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.31 125.05 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.638 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 3.8 m-30 -105.5 -168.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.92 70.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 77.18 34.72 40.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -151.92 157.02 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 149.23 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG22 ' CE2' ' A' ' 65' ' ' TYR . 2.4 t -138.46 161.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.4 m -145.44 160.22 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.603 HD12 ' CD2' ' A' ' 61' ' ' HIS . 3.1 mt -149.2 165.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.07 158.62 33.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.59 13.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.484 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -90.14 -14.39 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 74.9 m -89.55 -20.45 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.567 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.8 -48.97 96.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.96 1.69 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.475 ' CE1' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -114.22 -5.61 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.656 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 31.1 m -143.07 34.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 2.3 p30 -54.26 122.18 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.74 28.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . . . -76.06 178.52 6.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -141.25 106.25 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 97' ' ' THR . 1.8 tp -73.1 107.3 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 97' ' ' THR . 0.7 OUTLIER -97.35 139.01 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.585 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 4.7 t80 -85.93 122.79 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.1 t -124.9 161.5 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 44.0 t -117.74 128.21 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.452 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 48.0 m-20 -164.82 -161.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t80 36.69 -140.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -77.08 -10.24 59.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 90' ' ' ASP . . . -161.09 -98.17 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.59 -176.44 16.23 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.585 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . 128.29 -0.82 6.54 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.7 p90 -129.77 107.05 9.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.463 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -149.12 152.62 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.413 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 97' ' ' THR . 4.6 tp -129.9 124.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.81 97.16 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.78 154.89 61.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.36 175.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.61 128.54 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 6' ' ' GLN . 1.3 tp60 -88.93 88.24 7.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.5 87.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -104.63 52.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.542 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 33.1 tt0 -117.26 98.24 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 2.9 m-30 -106.06 159.98 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.15 113.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' A' ' 72' ' ' ILE . 8.6 t80 -159.06 129.99 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -134.58 126.15 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG2' ' CB ' ' A' ' 16' ' ' ALA . 3.3 p -105.41 149.4 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 p -63.73 143.91 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -33.3 20.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . 4.8 tptt -64.88 -43.91 91.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' CG2' ' A' ' 12' ' ' VAL . . . -54.79 -45.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.75 -48.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.06 -23.19 61.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' OE1' ' CG2' ' A' ' 89' ' ' VAL . 17.8 tp10 -68.45 -76.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.507 HG22 ' CD1' ' A' ' 34' ' ' LEU . 2.1 mp -48.06 -23.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -53.44 -38.76 63.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -75.55 -42.69 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.78 -36.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -71.75 -39.65 69.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -36.62 83.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -8.03 51.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -112.18 10.92 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.8 t30 54.76 33.59 19.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -99.63 148.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -127.93 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.92 66.81 7.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.465 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.96 142.14 27.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.74 97.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' CD1' HG22 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.56 129.69 37.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.01 133.78 52.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' ' CG1' ' A' ' 70' ' ' VAL . 4.0 mp -88.61 108.67 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 156.71 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 79' ' ' TYR . 43.9 t -80.9 134.25 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.0 85.63 57.63 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 1.06 8.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.96 63.85 0.87 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.79 88.41 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.12 -28.96 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.13 -32.25 16.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.92 137.66 2.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 37.2 p90 -84.45 111.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -136.73 162.78 32.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 20.0 m-85 -84.81 105.2 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.561 ' HB3' ' CE1' ' A' ' 96' ' ' PHE . . . -81.11 159.05 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.57 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -94.27 175.39 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.86 113.61 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 11.0 p90 -68.92 125.14 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.0 175.34 6.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -148.13 64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -175.66 149.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.95 155.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 3.1 mm-40 -108.58 170.18 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -84.7 38.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.83 58.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -116.14 137.73 51.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.693 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 1.1 t60 -65.04 121.18 14.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.561 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -95.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -118.27 111.91 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.92 124.18 27.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.51 ' CE1' HG21 ' A' ' 70' ' ' VAL . 3.1 m-85 -111.74 -165.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.25 69.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 85.86 -20.12 21.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.9 t -96.86 171.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 70' ' ' VAL . 14.8 tttt -137.91 150.28 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.51 HG21 ' CE1' ' A' ' 65' ' ' TYR . 9.9 t -131.49 152.37 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.506 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 2.7 m -144.32 110.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.509 HD13 ' CD2' ' A' ' 10' ' ' PHE . 1.4 mt -93.37 158.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.41 159.51 50.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.28 13.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 11.9 m-85 -88.91 -23.47 22.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.9 t -89.26 -18.37 27.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.03 -49.5 92.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.435 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -106.52 -23.18 12.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.658 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 34.6 m -135.1 43.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -82.54 142.8 31.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 45.05 55.54 6.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.55 169.61 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -125.38 150.27 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.47 108.93 20.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -95.18 104.77 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -85.46 118.68 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 95' ' ' GLY . 17.5 t -74.81 147.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.476 ' CG2' ' OE1' ' A' ' 19' ' ' GLU . 16.3 t -128.7 114.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.77 -150.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.71 -14.17 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.56 6.51 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.57 19.74 10.08 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.96 90.44 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -84.37 -169.18 45.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -129.42 138.06 51.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 m -157.33 134.14 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.1 mm -111.73 129.61 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 116.64 32.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -119.36 119.08 32.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.474 0.178 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 49.86 74.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -146.42 148.86 32.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.24 87.52 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.16 108.79 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -173.09 129.32 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -120.42 104.06 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.668 ' CD1' ' CE ' ' A' ' 77' ' ' MET . 8.3 t80 -74.41 161.98 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' ' CZ ' ' A' ' 8' ' ' PHE . 10.6 mm -79.46 109.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.552 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 26.6 t80 -159.37 135.24 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -137.02 111.48 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG21 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -108.76 137.63 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -57.99 168.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.69 90.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 12' ' ' VAL . . . -61.56 -51.98 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.525 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -61.02 -55.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.56 -26.67 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 11.5 tp10 -58.98 -37.7 77.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.497 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 2.5 mp -74.05 -35.69 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -58.34 -44.12 88.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -48.92 34.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.74 -40.4 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -73.07 -39.54 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.01 -39.48 74.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -4.59 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -116.82 5.06 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t30 54.47 34.98 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -99.18 141.93 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -118.76 6.43 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -151.34 66.35 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.98 161.26 39.11 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.76 114.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' CG1' ' A' ' 20' ' ' ILE . 9.1 tp -92.38 130.84 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.01 139.68 52.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' HB ' ' CG2' ' A' ' 72' ' ' ILE . 8.2 mm -92.45 111.7 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -128.57 134.98 48.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.429 HG23 ' CD2' ' A' ' 79' ' ' TYR . 2.3 t -78.68 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -151.93 125.84 4.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.9 171.44 19.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.52 122.42 2.79 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.23 -42.81 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -42.75 99.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.62 163.33 11.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -38.85 107.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.07 131.04 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.641 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 2.6 m-85 -78.65 137.17 37.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.73 158.5 25.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.465 ' HB2' ' CD1' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -136.68 145.26 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' N ' HD11 ' A' ' 34' ' ' LEU . . . -172.18 172.93 45.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 41.8 p90 -77.95 127.3 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.94 173.61 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -34.61 28.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -166.09 173.15 10.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.12 155.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.33 170.17 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -87.33 21.77 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.59 52.05 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -111.81 168.54 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 88.0 m-70 -93.9 95.94 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.04 116.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -115.23 112.74 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -73.07 134.57 44.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.88 -155.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -66.11 71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 64.86 39.12 96.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -152.43 144.62 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.57 129.16 56.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 71' ' ' VAL . 54.0 t -102.9 161.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -144.74 156.94 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.447 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 7.2 mt -144.12 105.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.1 m-20 -39.21 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 18.5 Cg_endo -74.96 -20.9 16.5 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.415 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -84.99 -28.5 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.9 p -88.44 -17.61 30.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.668 ' CE ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.75 -51.45 80.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.044 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -75.05 1.56 7.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CD2' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -112.27 -11.08 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.641 ' CG1' ' CE2' ' A' ' 48' ' ' TYR . 4.4 m -143.63 48.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 5.8 p-10 -91.78 139.23 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.2 57.26 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.74 175.99 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -132.18 173.63 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.88 107.71 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 97' ' ' THR . 45.9 t0 -96.62 133.9 40.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 40.5 t80 -85.63 99.87 11.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 95' ' ' GLY . 15.1 t -99.6 154.13 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -127.33 128.04 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' PHE . 53.3 m-20 -165.28 -166.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 36.66 -141.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ptm -66.41 -15.85 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.42 118.73 0.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -94.69 -157.85 32.89 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . 144.31 -13.84 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.69 106.63 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.478 ' CG2' HG23 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -144.19 139.52 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.67 142.9 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.04 124.95 40.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -99.49 140.65 21.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.464 0.173 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.18 72.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -138.55 154.38 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.68 106.31 16.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.81 110.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.55 43.09 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 3.1 pt20 -122.15 104.71 9.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 2.1 m-85 -120.15 159.7 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mm -85.11 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -154.74 112.77 3.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -106.12 117.49 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' HG22 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.83 136.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -58.56 171.6 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.92 -27.76 57.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -42.75 92.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 87' ' ' TYR . . . -64.41 -50.27 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 12' ' ' VAL . 2.1 t -55.68 -48.93 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.67 -40.3 94.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 15.9 tp10 -54.22 -30.39 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CG2' ' HG ' ' A' ' 34' ' ' LEU . 3.0 mm -67.59 -36.33 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -27.22 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -30.67 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.74 -32.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.15 -42.59 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -54.42 -24.98 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -2.49 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.0 2.3 8.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.6 t30 54.29 38.3 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -99.69 127.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 7.66 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -151.12 66.79 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.483 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -74.99 115.13 4.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.4 mt -100.82 97.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -91.58 137.3 32.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 140.41 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 72' ' ' ILE . 6.5 mm -89.45 139.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.8 144.74 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.15 115.12 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -130.02 83.59 63.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.2 Cg_endo -75.0 80.38 2.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.54 1.811 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -37.62 -30.53 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . 173.1 -156.13 24.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.4 p -70.23 -13.74 62.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -61.31 -14.1 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 46' ' ' PHE . . . 102.16 -66.97 0.4 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CE2' ' HA3' ' A' ' 41' ' ' GLY . 7.4 m-85 58.66 127.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.494 ' OE1' ' CG2' ' A' ' 98' ' ' ILE . 10.6 mm-40 -90.66 179.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.558 ' CE2' ' CG1' ' A' ' 80' ' ' VAL . 25.9 m-85 -78.16 117.79 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . . . -83.89 159.36 21.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.462 ' HB2' ' CE2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -96.16 167.07 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.24 117.64 0.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 37.0 p90 -70.07 128.91 37.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.62 175.37 6.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -100.28 -9.11 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 56' ' ' VAL . 1.8 m -165.67 168.27 16.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER -95.03 155.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.14 170.71 12.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 24.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.3 59.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -122.5 148.78 44.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 1.5 t60 -66.14 72.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.604 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.6 p -76.31 98.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -116.1 143.86 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 11.9 mt-10 -87.87 139.2 30.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 63' ' ' PHE . 49.4 m-85 -129.63 -160.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -64.99 71.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 70.31 16.13 73.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.89 163.46 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.252 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 64' ' ' GLU . 1.3 mmtp -128.02 142.88 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.566 HG22 ' CE1' ' A' ' 65' ' ' TYR . 14.0 t -132.8 152.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 3.6 m -145.16 158.65 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 61' ' ' HIS . 1.3 mp -140.79 122.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -39.47 157.88 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.95 15.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 5.9 m-85 -86.44 -25.11 25.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 m -89.13 -18.64 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.28 -49.43 93.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.03 2.61 6.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -18.42 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.558 ' CG1' ' CE2' ' A' ' 48' ' ' TYR . 26.2 m -137.62 34.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.72 113.0 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 -7.7 60.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.12 158.44 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -115.2 121.5 43.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 36' ' ' ILE . 1.2 tp -89.08 106.91 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.2 98.52 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 96' ' ' PHE . 0.8 OUTLIER -86.06 129.23 34.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.59 144.59 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.25 110.05 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.54 -148.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.67 -14.25 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.85 0.78 25.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.29 12.85 33.53 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.48 85.7 0.97 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.15 111.8 3.88 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.583 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 8.0 p90 -72.78 138.11 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 m -159.29 154.12 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.494 ' CG2' ' OE1' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -136.46 134.15 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -107.19 113.28 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.79 144.3 29.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.53 0.205 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -135.06 -173.68 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.01 156.91 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -76.11 93.82 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.01 129.77 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.534 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 27.5 tt0 -178.05 133.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.586 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 2.0 tt0 -109.47 98.5 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 9.2 m-85 -74.86 160.47 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mm -74.71 116.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -159.56 129.31 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -133.16 121.38 22.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 16' ' ' ALA . 1.8 p -110.85 144.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 16' ' ' ALA . 17.0 p -58.64 136.55 57.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.469 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -43.95 88.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -55.8 -46.41 78.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.16 -44.46 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.62 -33.89 68.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 28.8 tp10 -57.08 -31.96 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 3.3 mp -73.28 -38.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mppp? -50.75 -41.26 56.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.15 -51.38 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.64 -38.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.85 -42.46 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.94 -43.99 63.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -6.95 44.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -119.38 4.25 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' ALA . 45.6 t30 50.33 42.26 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.9 mt -99.39 139.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.73 4.25 16.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -151.26 65.33 6.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.01 116.26 4.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.81 95.39 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' CG1' ' A' ' 20' ' ' ILE . 3.3 mm? -92.16 141.34 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 25.5 ptt-85 -108.01 144.71 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 HG21 ' CG2' ' A' ' 72' ' ' ILE . 1.3 mp -104.39 117.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -143.69 169.71 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 39' ' ' VAL . 23.4 t -79.85 147.8 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' N ' HG11 ' A' ' 38' ' ' VAL . 67.5 t -109.59 100.68 43.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 59.94 5.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.31 63.58 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.87 97.78 0.12 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -46.5 88.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -101.08 -45.86 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.64 47.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 50.2 p90 -166.13 109.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -153.91 147.2 24.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 37' ' ' ARG . 7.9 m-85 -79.0 148.44 32.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.62 148.83 47.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.594 ' SD ' ' CE2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -102.81 169.24 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' LEU . . . 178.35 121.13 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 24.4 p90 -68.52 117.5 10.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.42 175.09 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.51 -52.17 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t -165.03 -177.65 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 ' CG2' HG11 ' A' ' 71' ' ' VAL . 8.8 p -77.28 156.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.39 171.0 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -82.94 18.95 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.54 57.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.78 165.23 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.796 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -76.77 98.44 4.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.608 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -76.58 100.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.11 111.68 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.4 126.45 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE2' HG23 ' A' ' 70' ' ' VAL . 4.1 m-85 -112.32 -163.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -64.27 70.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 88.88 -29.24 5.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 1.8 t -95.4 173.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 147.73 37.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.572 HG23 ' CE2' ' A' ' 65' ' ' TYR . 70.6 t -124.36 160.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 71' ' ' VAL . 1.4 m -145.82 110.79 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 61' ' ' HIS . 1.0 OUTLIER -94.9 152.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.47 156.72 86.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -24.52 12.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.3 t80 -90.77 -30.46 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -89.05 -19.88 25.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.579 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 3.4 mmm -57.96 -50.09 90.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.96 1.72 7.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 -17.83 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.532 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -135.69 34.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.9 t-20 -45.62 129.02 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.54 26.38 0.39 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.53 155.33 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -113.52 106.9 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 1.6 tp -85.12 106.53 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -98.38 105.79 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' SD ' ' A' ' 50' ' ' MET . 11.9 t80 -86.2 111.92 20.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.5 t -67.49 148.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.8 t -127.74 119.35 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' PHE . 26.2 m-20 -165.42 -177.11 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 34.46 -140.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.11 23.63 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.93 -96.26 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 162.6 -132.41 2.78 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.18 140.92 6.01 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.73 142.11 34.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.11 129.17 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -131.82 126.05 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.42 129.66 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -138.08 140.25 28.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.505 0.193 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.55 79.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -142.58 156.24 45.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.37 125.81 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.21 120.28 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.11 38.48 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -123.95 100.0 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.627 ' O ' ' CE2' ' A' ' 63' ' ' PHE . 16.5 t80 -87.31 124.49 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mm -84.74 109.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 13.7 t80 -159.57 148.8 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -131.45 108.98 9.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 2.1 p -113.66 147.78 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -63.79 143.5 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.83 -26.86 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -65.07 -39.01 92.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' CB ' ' CG2' ' A' ' 12' ' ' VAL . . . -67.78 -50.34 57.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.536 HG23 ' CZ ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -64.86 -54.27 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' HG11 ' A' ' 17' ' ' VAL . 11.4 tm-20 -52.19 -30.94 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -66.62 -33.57 75.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.0 mm -70.46 -29.49 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -77.71 -35.11 52.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.73 -51.17 24.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 52' ' ' PHE . 13.7 t -55.13 -37.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.23 -45.33 40.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -55.87 -32.18 63.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -3.8 54.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -124.08 10.42 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.2 t30 54.52 34.56 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.28 125.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -105.09 8.45 34.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -149.7 66.62 8.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 18.4 Cg_endo -75.01 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mt -89.44 104.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 50' ' ' MET . 14.2 tp -90.68 112.19 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -107.51 134.67 50.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 mp -90.0 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.52 127.85 47.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.62 108.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -106.19 114.6 62.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.3 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.04 -57.48 0.3 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.72 160.91 51.69 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' CZ ' ' A' ' 46' ' ' PHE . 1.2 m -79.43 -50.87 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -114.54 -46.78 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.49 83.87 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 43' ' ' CYS . 32.4 m-85 -81.93 107.69 14.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.48 172.42 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 49.0 m-85 -115.52 123.43 48.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.78 159.04 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.47 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -117.31 153.89 32.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.64 178.5 48.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 23' ' ' VAL . 17.9 m-30 -109.67 96.39 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.82 153.86 15.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.36 89.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.85 -173.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 71' ' ' VAL . 1.2 t -76.18 153.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -115.78 171.05 8.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -84.05 21.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.79 45.27 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.28 131.13 56.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.03 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -76.49 123.19 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.627 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.51 137.74 52.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.1 145.98 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.536 ' CZ ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -137.51 -157.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 73.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 59.08 45.09 95.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.3 t -151.28 150.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 139.56 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 t -139.66 142.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -145.47 156.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.59 ' HB ' ' CE2' ' A' ' 8' ' ' PHE . 4.6 mp -142.06 138.6 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -60.29 160.48 17.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.449 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -83.77 -22.48 31.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -89.2 -18.0 27.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HE1' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.9 -49.35 93.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.92 3.14 5.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CD1' ' OH ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -101.19 -41.55 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.584 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 12.2 m -123.96 50.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -92.1 131.84 37.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.56 62.34 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.33 -179.12 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -136.32 153.23 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.449 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -136.33 118.73 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -95.87 112.39 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 30.5 t80 -85.49 124.5 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' GLY . 54.3 t -96.24 146.44 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.8 t -128.39 111.57 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -165.62 -149.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.08 -14.76 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.52 2.93 23.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 57.77 15.72 20.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.31 85.59 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -80.93 123.02 5.87 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -93.14 114.04 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.449 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 3.6 m -122.8 126.2 46.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.26 129.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.96 136.25 44.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -129.23 128.35 23.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.476 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -135.77 149.02 49.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -123.39 95.29 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 6' ' ' GLN . 3.2 mp0 -85.94 113.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.26 84.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' GLN . 1.1 pt20 -103.9 49.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.67 99.17 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' O ' ' CE1' ' A' ' 63' ' ' PHE . 2.6 t80 -94.4 125.46 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mm -85.85 110.24 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 25.7 t80 -155.9 151.3 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -132.43 109.56 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.567 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -111.38 147.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.88 177.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.43 -21.92 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' CD ' HG21 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.46 -47.29 76.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.31 -56.44 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.581 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -55.06 -44.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.0 -40.05 83.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' OE2' ' CE2' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -56.21 -46.99 79.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mm -55.21 -38.6 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -64.95 -40.88 95.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -53.45 -50.53 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.0 -24.03 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.507 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.39 -51.74 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -36.17 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -6.79 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -138.1 15.58 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ALA . 16.7 t30 41.59 45.02 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 2.9 mt -96.87 107.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.08 4.99 17.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.8 68.73 8.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.0 115.73 4.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.425 ' CG1' ' HB2' ' A' ' 69' ' ' LYS . 25.3 mt -101.03 95.79 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -101.29 152.64 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -125.67 143.94 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.46 HD12 ' CD2' ' A' ' 85' ' ' LEU . 5.8 tp -90.34 145.3 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -141.18 163.26 33.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 79' ' ' TYR . 2.1 t -102.02 130.56 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.59 92.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 87.68 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.69 87.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.31 132.03 7.64 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -49.0 76.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -39.65 38.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.77 171.13 34.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 43.2 p90 -84.96 111.05 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 96' ' ' PHE . 23.2 mp0 -143.89 179.15 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.555 ' CE2' HG13 ' A' ' 80' ' ' VAL . 7.0 m-85 -104.61 135.41 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.7 159.75 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.472 ' HB2' ' CE2' ' A' ' 87' ' ' TYR . 1.4 mtt -113.3 157.04 22.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.41 131.25 1.53 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 29' ' ' ILE . 9.1 t80 -68.55 128.37 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.793 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 7.4 t70 -88.66 175.22 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.65 -40.97 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -164.78 -177.57 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -83.3 156.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.83 169.99 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -87.35 23.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.96 63.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 135.98 38.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.462 ' N ' ' HD1' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -67.39 90.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -76.59 117.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -115.52 117.48 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.75 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 1.1 m-30 -119.14 -165.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.23 70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.71 20.4 71.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 69' ' ' LYS . 64.2 t -138.61 165.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HB2' ' CG1' ' A' ' 33' ' ' ILE . 2.5 mttt -110.93 148.1 33.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' CE2' ' A' ' 65' ' ' TYR . 91.6 t -142.17 150.87 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -146.87 155.22 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.512 ' HB ' ' CD2' ' A' ' 8' ' ' PHE . 5.1 mp -143.12 140.05 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.12 163.05 8.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.47 8.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -80.54 -20.33 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -88.6 -18.03 28.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.581 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.79 -50.57 86.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.0 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.409 ' CD2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -107.63 -36.03 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' ' 48' ' ' TYR . 30.9 m -126.41 50.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -97.29 134.55 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.28 62.54 4.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 -179.98 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -136.19 143.98 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -128.94 116.66 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.499 ' OD2' ' CG2' ' A' ' 97' ' ' THR . 2.9 p-10 -95.97 105.75 17.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 50' ' ' MET . 1.1 t80 -85.49 124.66 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.533 ' CG1' ' OD2' ' A' ' 90' ' ' ASP . 25.5 t -99.39 149.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG21 ' CD ' ' A' ' 15' ' ' LYS . 11.8 t -129.32 104.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.533 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 5.4 m-20 -151.68 -149.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.21 -14.02 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.2 15.78 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.47 25.04 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.63 82.23 0.51 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -79.59 114.26 3.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 47' ' ' GLN . 3.1 p90 -81.3 143.83 31.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.499 ' CG2' ' OD2' ' A' ' 86' ' ' ASP . 1.3 m -159.53 138.29 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 99' ' ' ARG . 6.5 mt -122.88 139.56 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.416 ' N ' HG22 ' A' ' 98' ' ' ILE . 13.5 mtt180 -126.97 97.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.53 137.71 76.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.531 0.205 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -163.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.11 155.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.92 144.02 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' O ' ' CE1' ' A' ' 61' ' ' HIS . . . -54.84 124.37 16.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' CG ' ' H ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -104.31 33.53 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.66 112.54 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.632 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 5.7 p90 -106.77 141.07 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mm -86.87 107.8 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -161.85 152.68 17.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -123.84 135.78 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.52 134.92 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -58.6 172.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.1 m-20 -75.88 -26.34 56.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -65.01 -46.59 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -59.39 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.14 -48.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 63.8 mt-10 -51.09 -51.35 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE1' ' CE2' ' A' ' 87' ' ' TYR . 1.3 tt0 -45.6 -49.44 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.2 mp -66.66 -41.71 88.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -44.22 92.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -48.15 42.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG12 ' CD1' ' A' ' 52' ' ' PHE . 2.5 t -50.81 -56.27 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -60.29 -43.25 96.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.96 -35.06 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.38 -6.77 54.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -116.74 8.69 13.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 62.64 33.43 15.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.4 mt -99.44 145.31 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.13 6.56 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.29 66.87 7.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 160.21 40.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.4 113.55 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 38.1 tp -92.59 114.52 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -109.83 117.93 35.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.76 112.59 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.76 154.41 30.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' CE2' ' A' ' 48' ' ' TYR . 92.3 t -85.28 132.95 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.5 t -116.94 84.95 16.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.34 -87.8 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 144.69 44.42 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -33.6 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.29 -33.92 8.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.96 126.3 8.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.47 ' O ' ' CG ' ' A' ' 46' ' ' PHE . 8.3 p90 -170.98 81.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -98.58 174.74 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 56.6 m-85 -94.37 118.58 31.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.579 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -82.01 158.92 23.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.539 ' HG3' ' CD2' ' A' ' 87' ' ' TYR . 1.4 mmm -107.97 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.32 -172.47 44.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -137.45 123.64 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -114.68 174.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.12 44.26 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 t -164.86 152.49 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 57' ' ' GLU . 1.3 t -95.45 154.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' N ' HG12 ' A' ' 56' ' ' VAL . 2.8 mm-40 -98.81 170.66 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 45.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 66.85 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -125.66 126.11 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.588 ' CE1' ' O ' ' A' ' 5' ' ' ALA . 96.7 m-70 -64.08 104.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' H ' ' CG ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -92.0 128.44 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -118.31 134.67 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -91.81 106.74 18.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -99.52 -160.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.88 70.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.57 33.7 60.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -147.87 157.68 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -119.19 143.1 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 34' ' ' LEU . 12.4 t -129.96 149.19 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.2 m -145.34 151.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ASP . 12.0 mt -145.6 120.66 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ILE . 3.0 m-20 -39.48 158.43 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.51 16.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -88.29 -29.99 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.8 p -89.26 -18.67 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.514 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -56.59 -49.7 92.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.6 Cg_endo -74.95 1.18 7.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 75' ' ' PHE . 12.9 m-85 -107.61 -19.98 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.647 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 30.3 m -135.74 47.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -100.69 140.22 35.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.11 60.88 5.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.18 158.31 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.95 134.24 44.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 0.8 OUTLIER -120.68 106.8 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.92 101.34 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.709 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 3.8 t80 -85.28 110.93 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.44 146.93 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.0 t -127.75 118.52 49.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' PHE . 55.1 m-20 -165.46 -174.43 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.4 t80 35.0 -140.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.71 17.64 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.98 -99.01 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 163.57 -154.45 25.36 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.58 115.0 0.91 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 9.5 m-85 -76.68 120.74 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 127.6 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 85' ' ' LEU . 1.5 tt -126.41 123.24 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.78 129.77 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.97 146.77 52.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ptp . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.465 0.174 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -179.42 176.02 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.82 156.74 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -124.76 103.07 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.42 130.96 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.445 ' O ' ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -124.4 36.34 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.7 103.84 8.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 15.3 p90 -120.72 124.77 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.91 135.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -159.63 127.75 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -93.08 114.7 27.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -131.45 125.55 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 p -58.69 151.06 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.61 -28.05 43.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -39.51 94.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -66.43 -58.2 5.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.576 HG22 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -54.59 -46.93 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -57.01 -40.51 76.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -47.26 -32.99 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 2.4 mp -76.55 -42.68 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -51.54 -38.54 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -48.01 21.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.6 t -57.67 -39.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.29 -41.03 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.91 -47.11 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.73 -13.28 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 23' ' ' VAL . 83.4 m-20 -109.84 -0.4 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.8 t30 52.37 41.54 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.4 mt -99.93 144.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.77 4.25 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.72 66.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 118.24 5.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mt -105.53 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 2.3 mp -98.51 142.5 30.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 20.3 ttp180 -107.98 146.86 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -114.92 110.77 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 171.45 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -80.65 125.65 39.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -126.52 124.9 24.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 101.46 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.8 179.04 35.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.08 -167.72 12.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.7 -50.24 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -46.04 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.92 55.86 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.44 39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 96' ' ' PHE . 1.2 pp0? -96.58 158.49 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 10.2 m-85 -114.75 116.16 28.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.09 159.21 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -125.47 161.81 26.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . -177.4 134.52 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.474 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 33.6 p90 -68.78 125.11 25.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASP . 16.6 t0 -106.71 175.14 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.4 p-10 -39.68 -52.31 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 t -174.41 -176.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.81 155.73 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -81.26 171.04 15.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.95 23.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.87 56.01 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 3.2 t0 -120.39 134.73 55.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.604 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 2.8 m-70 -62.94 85.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.482 ' CG2' HG11 ' A' ' 71' ' ' VAL . 2.5 p -89.11 134.94 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.629 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.52 152.69 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -98.16 118.41 34.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CE1' HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -107.99 -164.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.75 70.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.81 -4.57 60.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 58.6 t -106.85 163.71 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 1.4 mttp -124.83 148.8 48.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 71' ' ' VAL . 25.5 t -146.62 159.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.482 HG11 ' CG2' ' A' ' 62' ' ' VAL . 1.5 m -144.43 159.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.508 HG13 ' CZ ' ' A' ' 8' ' ' PHE . 8.9 mt -147.51 129.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.09 153.57 0.51 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -90.42 -29.48 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -89.85 -19.37 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.537 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 4.0 mmm -57.5 -48.77 96.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.97 1.6 7.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.21 -0.94 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 4.4 m -151.77 22.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -44.72 124.65 4.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 43.19 28.72 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.44 162.67 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -110.13 104.8 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.42 108.05 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -96.81 100.78 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 50' ' ' MET . 1.4 t80 -85.23 127.18 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.25 154.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.3 t -127.24 121.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' PHE . 64.9 m-20 -165.43 -175.8 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 34.92 -140.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.5 20.69 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.21 -107.5 0.22 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.99 -174.83 46.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.44 -178.46 19.8 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD2' ' NE2' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -129.06 128.39 43.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.3 m -149.83 119.25 6.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.436 HD13 ' CE1' ' A' ' 48' ' ' TYR . 3.1 tt -121.12 143.03 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 127.64 45.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -98.19 141.76 23.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.454 0.169 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 45.31 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -136.86 109.84 7.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.49 82.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.06 125.75 25.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -165.17 107.89 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 7.7 pt20 -118.98 99.01 6.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.606 ' CD1' ' HE3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -100.67 150.6 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.55 131.79 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.486 ' CG ' HD11 ' A' ' 72' ' ' ILE . 18.9 t80 -159.46 139.16 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -135.07 115.77 13.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG21 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -121.95 139.62 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.6 p -62.29 155.2 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.77 -32.16 69.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -65.17 -42.08 94.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' CB ' HG21 ' A' ' 12' ' ' VAL . . . -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG22 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -66.22 -50.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.47 -46.62 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.1 tp10 -49.36 -33.29 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.521 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mm -70.83 -45.23 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -65.41 -34.76 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -76.15 -34.69 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -72.44 -49.41 33.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -18.13 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.57 -10.72 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -120.56 0.76 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.09 43.1 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 mt -99.43 139.62 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.28 4.88 18.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -151.71 65.65 6.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.02 123.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 mt -98.1 101.02 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD13 ' CG ' ' A' ' 50' ' ' MET . 1.7 tp -90.74 114.62 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 2.9 ptm180 -102.05 122.31 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.616 ' CG2' ' CD2' ' A' ' 48' ' ' TYR . 1.6 mp -89.01 108.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.95 155.0 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG22 ' CE2' ' A' ' 48' ' ' TYR . 95.0 t -76.78 156.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.4 t -129.29 131.63 23.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.92 5.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.43 -59.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' CD1' ' A' ' 46' ' ' PHE . . . -49.75 108.8 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.65 -41.61 45.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -94.93 -41.72 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.16 107.15 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 59.0 m-85 -68.7 86.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.801 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.95 139.19 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.616 ' CD2' ' CG2' ' A' ' 36' ' ' ILE . 9.7 m-85 -83.34 145.33 29.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -91.53 159.31 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.549 ' HB2' ' CE1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -108.1 146.84 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' CA ' ' HE3' ' A' ' 50' ' ' MET . . . -176.67 174.8 47.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -117.88 125.66 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.958 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.92 175.87 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -32.75 18.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -165.92 172.06 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 57' ' ' GLU . 1.4 t -80.65 155.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 56' ' ' VAL . 18.7 mt-10 -85.39 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.9 28.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -116.86 166.66 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.761 ' CE1' ' CD1' ' A' ' 63' ' ' PHE . 21.4 t60 -78.46 116.85 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.581 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 t -94.96 98.97 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.761 ' CD1' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -116.9 110.34 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.76 124.46 27.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' HG22 ' A' ' 17' ' ' VAL . 5.1 m-85 -109.25 -167.2 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.13 70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.29 29.81 52.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 69' ' ' LYS . 65.8 t -148.64 160.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' HG13 ' A' ' 68' ' ' VAL . 2.3 ttmt -124.52 156.76 36.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -140.03 156.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -146.34 111.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.486 HD11 ' CG ' ' A' ' 10' ' ' PHE . 2.7 mt -95.49 161.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 77' ' ' MET . 62.9 m-20 -78.11 149.25 76.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -22.89 14.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.537 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -94.96 -24.88 16.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m -91.4 -26.69 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.606 ' HE3' ' CD1' ' A' ' 8' ' ' PHE . 8.9 mmm -58.18 -45.5 99.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.06 2.79 6.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 -20.64 16.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 2.5 m -141.76 43.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 3.9 p30 -47.85 137.37 9.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ASN . . . 36.99 32.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.76 -179.02 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -131.22 110.03 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 1.1 tp -95.23 106.21 18.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -98.7 102.24 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 18.4 t80 -85.8 125.32 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t -88.02 141.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.9 t -128.61 112.38 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -165.56 -148.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -15.42 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.6 mtm -83.63 9.36 11.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.52 22.97 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.74 119.08 3.32 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.82 -179.71 19.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 5.9 m-85 -128.07 116.76 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.82 127.19 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 85' ' ' LEU . 48.9 mm -116.31 123.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 99.65 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -69.64 154.74 94.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.465 0.174 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.22 105.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.45 122.11 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -118.96 171.73 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.49 166.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -105.63 146.96 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 4.9 pt20 -92.72 101.47 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -73.23 160.03 32.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mm -81.84 114.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 83' ' ' ALA . 35.6 t80 -157.03 131.75 8.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.56 124.38 41.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.01 137.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 p -55.2 147.89 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.428 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -32.89 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.64 94.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.01 -48.89 69.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -65.66 -53.01 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' HG11 ' A' ' 17' ' ' VAL . 31.6 tt0 -52.98 -32.66 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 8.0 tp10 -64.33 -36.09 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 32' ' ' PRO . 1.8 mm -67.66 -33.09 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -70.54 -40.42 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -51.08 43.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.84 -40.96 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -71.87 -39.95 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -20.16 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.235 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.82 -18.66 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -108.22 13.22 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 55.3 32.32 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -99.41 148.44 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -127.94 7.5 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.45 66.08 6.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HB2' ' CG2' ' A' ' 20' ' ' ILE . 18.2 Cg_endo -75.04 139.58 24.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.5 mt -104.47 112.98 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 50' ' ' MET . 54.4 tp -92.92 112.3 24.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -103.31 126.52 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.6 116.06 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.36 154.75 45.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -96.81 120.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 7.1 p -143.8 141.39 18.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.02 91.21 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -40.91 -61.43 1.95 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.1 -135.39 7.46 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -38.66 75.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.22 155.06 7.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -80.22 96.7 6.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' HB3' ' CD1' ' A' ' 98' ' ' ILE . 9.3 mt-30 -136.49 153.43 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -78.8 118.48 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -80.84 159.06 25.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.594 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 7.5 mtp -107.11 174.92 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.86 -171.86 40.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.34 127.79 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.04 174.96 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -136.22 65.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -179.66 168.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.5 155.93 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.48 170.52 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.85 24.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.25 66.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' VAL . 3.5 t0 -123.26 145.08 48.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.608 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -65.8 74.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.583 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.4 p -75.43 107.73 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -115.94 144.2 44.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -87.73 140.28 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CD2' HG22 ' A' ' 70' ' ' VAL . 9.2 m-85 -128.64 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -66.48 70.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 69.39 39.39 80.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -150.22 152.04 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.06 143.05 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.551 HG22 ' CD2' ' A' ' 65' ' ' TYR . 5.8 t -138.23 154.96 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.54 150.71 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 61' ' ' HIS . 11.0 mt -144.21 145.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.75 164.31 51.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.43 14.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -80.99 -14.31 58.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -88.85 -19.66 25.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.593 ' HG2' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.36 -51.2 83.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.04 3.33 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CE2' HG13 ' A' ' 38' ' ' VAL . 2.1 m-85 -113.16 -27.83 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.4 m -131.77 46.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 9.5 p-10 -61.02 101.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.18 11.27 31.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.535 ' O ' ' CD1' ' A' ' 10' ' ' PHE . . . -75.59 155.11 36.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.2 144.33 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.29 107.72 18.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -96.51 99.05 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 53.3 t80 -85.22 115.54 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.2 t -76.3 151.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.53 122.43 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 91' ' ' PHE . 54.6 m-20 -165.37 -173.9 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.7 t80 35.38 -140.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.29 27.5 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.85 -108.0 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.59 -172.1 43.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -138.5 123.55 2.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 96' ' ' PHE . 26.9 p90 -72.87 117.65 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -124.47 148.03 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 47' ' ' GLN . 4.8 mp -139.09 145.94 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -122.88 152.04 41.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -132.48 128.16 20.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.462 0.172 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.87 125.97 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.0 155.7 41.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -75.53 79.08 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 6' ' ' GLN . . . -75.18 166.54 23.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 26.9 tt0 68.21 133.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -121.94 112.14 17.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -72.32 156.23 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -85.54 138.78 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.672 ' CE1' ' CD1' ' A' ' 72' ' ' ILE . 7.9 t80 -158.94 146.34 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -133.53 116.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -130.41 132.45 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.4 168.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -27.2 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.4 79.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -59.65 -50.33 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.646 ' CG2' ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -60.81 -44.48 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.72 -41.91 87.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 22' ' ' LYS . 9.0 tp10 -53.43 -28.01 27.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.1 mm -79.71 -36.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -53.65 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.6 -37.64 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 19' ' ' GLU . 14.5 t -67.58 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -52.77 -50.86 62.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -38.1 15.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.27 -22.37 41.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -95.99 -0.57 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 61.13 27.77 17.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.77 144.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.33 4.38 15.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -145.37 69.16 13.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.03 125.58 9.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.83 95.41 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -91.37 114.05 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -99.89 132.25 45.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.567 HD13 ' CD1' ' A' ' 48' ' ' TYR . 15.2 mm -88.34 117.34 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -126.89 113.53 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 76' ' ' SER . 58.9 t -45.88 132.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.1 t -125.21 81.5 63.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.76 3.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.92 147.51 13.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.7 176.6 22.4 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.06 -30.03 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -104.98 -47.29 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 43.87 -152.54 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 2.6 t80 72.42 -59.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CD ' ' C ' ' A' ' 47' ' ' GLN . 3.1 pp0? -61.77 163.52 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD1' HD13 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -118.65 144.02 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -84.88 159.05 20.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.475 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 6.6 mtt -103.36 159.18 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.86 137.26 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.78 131.16 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.17 175.13 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.58 -43.81 84.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 t -164.36 -178.66 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG2' HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -78.88 156.2 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.8 170.62 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 21.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.33 54.67 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -120.11 142.88 48.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 67.3 m-70 -64.84 90.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.543 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -75.35 111.54 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 131.65 56.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -82.07 128.37 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.646 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 1.9 m-85 -123.57 -164.88 1.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.43 72.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 67.73 39.53 90.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -150.0 158.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.24 109.91 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.641 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 60.3 t -102.42 147.46 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 56' ' ' VAL . 24.4 m -144.63 158.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.672 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 7.5 mt -145.41 140.43 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.97 155.05 56.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.7 17.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.465 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 82.0 m-85 -87.37 -28.81 21.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.423 ' HB3' ' CG2' ' A' ' 38' ' ' VAL . 88.0 p -89.88 -18.16 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.572 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -55.93 -47.84 97.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.05 4.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.509 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -104.89 -1.84 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 79' ' ' TYR . 12.5 m -160.07 38.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.6 p-10 -44.42 112.69 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.75 27.16 0.32 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 81' ' ' ASN . . . -75.82 172.31 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 0.797 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -101.76 130.04 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -116.69 105.38 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.31 97.56 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -85.82 106.17 16.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.0 t -68.46 149.1 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.73 119.6 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' PHE . 34.4 m-20 -165.41 -174.62 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 35.12 -140.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.0 mtt -93.37 25.33 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.8 -103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.83 -165.22 38.61 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.53 126.03 4.79 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.533 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 1.5 m-85 -81.11 117.35 21.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 0.775 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 122.96 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.469 HD12 ' CG1' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -123.01 124.46 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -114.87 108.83 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -110.81 135.34 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.952 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 65.38 70.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -147.31 153.94 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 79.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.05 119.55 19.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.572 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 6.6 tt0 -171.84 126.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.593 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 26.5 tt0 -121.28 102.49 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.641 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 79.5 m-85 -74.36 161.07 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.29 110.75 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -159.39 135.04 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -137.37 115.14 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 3.3 p -102.94 147.46 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.6 p -58.47 154.16 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.41 -25.06 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -65.43 -43.35 90.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -58.53 -59.53 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' CE2' ' A' ' 65' ' ' TYR . 2.1 t -56.4 -41.89 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.04 -36.34 81.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 6.3 tp10 -59.98 -55.8 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 5.0 mp -62.28 -31.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -60.87 -49.6 76.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.28 -45.47 39.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.553 ' CG1' ' CE2' ' A' ' 52' ' ' PHE . 2.4 t -53.86 -54.8 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 32' ' ' PRO . . . -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -57.12 -37.08 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -2.02 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -111.4 4.61 19.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.31 29.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.9 mt -99.43 146.08 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.2 5.56 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -151.85 66.36 6.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 163.16 35.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.17 133.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' CA ' ' HE1' ' A' ' 50' ' ' MET . 0.8 OUTLIER -90.69 118.51 30.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -114.01 114.31 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 mp -87.92 116.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.52 149.89 49.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 79' ' ' TYR . 6.8 t -101.38 110.84 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.52 136.87 22.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 60.71 5.46 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.445 1.76 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.76 67.52 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 105.5 121.01 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.1 p -67.66 -18.68 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -95.23 -24.02 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.596 ' C ' ' CD1' ' A' ' 46' ' ' PHE . . . -97.56 -65.64 0.9 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 45' ' ' GLY . 52.2 p90 41.03 28.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -71.5 177.54 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 49.3 m-85 -106.45 115.11 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.72 159.16 25.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -94.22 172.07 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.17 95.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 32.8 p90 -68.08 108.47 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -110.98 174.18 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -126.5 57.69 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -165.8 179.02 6.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -139.36 153.44 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -93.34 170.94 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.05 18.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.52 41.58 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -96.73 141.14 30.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.679 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -75.9 107.1 7.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.59 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.1 t -76.45 100.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.25 111.54 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.57 125.17 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -111.59 -156.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -66.49 69.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 86.81 -29.17 5.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 t -94.95 156.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.08 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.7 t -124.19 155.68 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.612 ' C ' HG13 ' A' ' 72' ' ' ILE . 1.2 m -145.05 151.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.612 HG13 ' C ' ' A' ' 71' ' ' VAL . 2.1 mt -139.15 163.41 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.32 161.48 42.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.96 16.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.426 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 2.5 t80 -94.21 -9.57 35.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' VAL . 9.8 t -88.92 -19.54 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -56.91 -50.98 85.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.08 0.68 8.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -116.04 -11.98 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.647 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 7.7 m -145.96 41.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -86.79 121.49 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 58.89 12.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.58 152.87 27.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -120.13 108.6 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.39 103.48 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 50' ' ' MET . 8.6 t80 -85.72 123.31 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.79 152.21 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.1 t -127.59 120.27 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' PHE . 61.3 m-20 -165.38 -177.44 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 t80 34.85 -140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.79 8.9 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.9 -101.87 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.58 -155.61 26.67 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.61 177.81 18.75 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -124.29 128.97 49.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.975 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -140.36 143.7 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 48' ' ' TYR . 20.5 mm -120.22 134.86 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.23 143.61 46.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -122.06 149.64 54.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.749 ' CD2' HD13 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -78.23 130.23 36.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 13.5 mm -73.92 110.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 2.5 t80 -156.93 149.66 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.0 mmtt -135.4 110.81 9.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -113.28 142.67 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.507 HG21 ' CG ' ' A' ' 86' ' ' ASP . 49.9 p -61.82 178.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -25.54 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -65.74 -49.05 69.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -52.79 -57.7 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 ' HD2' ' A' ' 65' ' ' TYR . 2.2 t -54.94 -43.55 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.58 -33.37 72.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.578 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 2.7 tp10 -66.55 -38.05 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.972 HG13 HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -74.05 -42.0 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -64.07 -40.28 95.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -69.54 -51.12 38.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.22 -47.53 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.752 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -67.95 -42.5 80.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -56.4 -33.7 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.52 -8.41 59.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 35.8 m-80 -108.36 -10.63 15.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 10.9 t30 78.44 28.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.743 HG22 ' H ' ' A' ' 31' ' ' ASN . 32.5 mt -99.45 146.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.11 9.45 11.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -150.71 66.82 7.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.752 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.02 130.07 12.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.25 115.41 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.972 HD22 HG13 ' A' ' 20' ' ' ILE . 15.4 tp -91.91 115.58 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -106.29 144.9 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.716 HD12 ' CE1' ' A' ' 48' ' ' TYR . 9.8 mm -103.07 131.33 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -148.09 118.49 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.53 129.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 37' ' ' ARG . 72.3 t -126.43 136.17 28.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 39' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 36' ' ' ILE . 8.9 p90 -78.22 138.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.71 159.36 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.821 ' HB3' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -107.63 173.39 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.38 172.36 43.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -109.42 120.92 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.01 175.89 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.82 -45.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 t -71.0 -178.98 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.89 155.58 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 170.18 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.08 47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.49 72.72 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 143.44 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.403 ' ND1' ' SD ' ' A' ' 77' ' ' MET . 5.0 m-70 -64.97 88.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.686 HG23 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -78.52 113.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 2.7 t80 -116.17 118.82 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -67.94 136.24 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.683 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.0 m-85 -112.43 -167.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.53 70.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.71 36.37 43.03 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 48.1 t -153.33 154.71 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -96.75 147.1 24.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 34' ' ' LEU . 98.5 t -145.92 152.22 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.686 HG12 HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -144.69 158.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.749 HD13 ' CD2' ' A' ' 8' ' ' PHE . 5.3 mp -143.86 130.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.13 166.4 2.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.11 14.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.445 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.2 m-85 -87.79 -30.82 19.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.0 p -89.17 -18.24 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.639 ' CE ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.94 -49.36 93.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.02 1.94 7.2 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.23 4.3 33.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.513 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 32.7 m -151.85 33.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.27 104.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.17 16.3 13.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.47 173.8 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 1.8 tt0 -124.88 133.32 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.674 HD21 ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -117.07 108.74 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.507 ' CG ' HG21 ' A' ' 13' ' ' THR . 6.9 t0 -97.41 102.28 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 1.5 t80 -85.28 123.71 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.6 113.33 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -130.92 136.14 48.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.596 HD12 ' CE2' ' A' ' 48' ' ' TYR . 4.3 tt -135.18 136.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.53 138.69 54.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -123.85 122.87 26.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.587 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.2 p90 -95.91 141.79 28.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.51 109.51 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 26.2 t80 -160.59 151.21 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -127.56 128.12 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.58 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -124.3 140.88 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -63.58 155.06 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 2.7 m-20 -61.71 -23.14 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -64.52 -39.48 93.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB3' HG22 ' A' ' 12' ' ' VAL . . . -71.9 -50.94 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -61.57 -58.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -54.81 -24.17 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 20.4 tp10 -75.16 -17.87 60.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.561 HG23 ' CE2' ' A' ' 52' ' ' PHE . 4.1 mm -79.31 -55.3 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.37 -22.36 42.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -50.73 30.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.815 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -69.83 -24.48 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.26 -51.05 14.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -15.92 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 0.52 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -138.13 15.58 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 53.17 43.21 31.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 31' ' ' ASN . 71.0 mt -99.1 140.44 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -120.15 5.74 10.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.43 ' H ' HG22 ' A' ' 29' ' ' ILE . 40.2 t-20 -151.35 66.04 6.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.99 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.0 mt -92.68 96.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD11 ' CG ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -92.03 118.86 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -108.54 139.84 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 48' ' ' TYR . 2.0 mp -96.34 108.8 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -121.87 152.5 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG22 ' OH ' ' A' ' 48' ' ' TYR . 5.1 t -70.32 157.73 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -150.79 108.96 3.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' OH ' HG22 ' A' ' 38' ' ' VAL . 32.1 m-85 -83.08 112.96 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . . . -80.56 159.3 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.641 ' CG ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.9 174.86 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.14 140.53 3.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.815 ' CE1' HG11 ' A' ' 23' ' ' VAL . 4.3 m-85 -112.02 113.62 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.08 175.3 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -129.54 62.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 56' ' ' VAL . 1.2 t -178.36 172.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.416 ' N ' ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -134.95 155.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -89.26 170.78 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.49 29.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.1 60.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.64 126.47 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 14.8 m170 -66.66 101.39 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.779 HG23 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -89.83 123.46 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -115.87 123.75 48.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.44 127.8 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.585 ' CD1' HG21 ' A' ' 17' ' ' VAL . 2.5 m-85 -113.75 -165.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.15 71.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.25 35.71 60.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 32' ' ' PRO . 78.9 t -150.49 151.96 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -108.04 145.43 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 34' ' ' LEU . 5.5 t -143.88 153.26 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.779 HG12 HG23 ' A' ' 62' ' ' VAL . 1.8 m -144.78 162.07 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG13 ' CE2' ' A' ' 8' ' ' PHE . 5.4 mt -144.98 125.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -47.27 158.72 0.45 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.09 13.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.447 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 4.0 m-85 -89.37 -26.66 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 -19.74 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.496 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.63 -50.7 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.01 1.06 8.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -27.45 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.76 31.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.81 114.16 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.94 -34.66 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.2 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.63 137.12 39.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -110.11 109.55 20.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.498 ' OD2' HG22 ' A' ' 97' ' ' THR . 0.5 OUTLIER -96.34 129.36 43.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 49.2 t80 -85.1 124.92 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.614 HG23 ' HB ' ' A' ' 97' ' ' THR . 77.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -119.1 129.98 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.614 ' HB ' HG23 ' A' ' 88' ' ' VAL . 1.2 m -143.2 156.7 44.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.13 141.87 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.77 97.31 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -85.83 119.01 71.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.895 ' CG ' HD12 ' A' ' 72' ' ' ILE . 2.6 t80 -102.36 128.63 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.29 110.13 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 38.1 t80 -159.04 146.8 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -125.09 112.73 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -110.67 141.18 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.565 HG21 ' CG ' ' A' ' 86' ' ' ASP . 2.2 p -58.55 170.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -27.34 55.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.06 -45.97 83.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -57.22 -59.6 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.736 HG22 ' HD2' ' A' ' 65' ' ' TYR . 1.7 t -55.33 -44.06 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.29 -23.22 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 6.5 tp10 -82.51 -31.3 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.637 HD13 ' N ' ' A' ' 20' ' ' ILE . 2.9 mm -70.38 -51.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -22.64 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -74.85 -51.15 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.608 HG11 ' CD1' ' A' ' 52' ' ' PHE . 1.6 t -61.74 -38.83 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.864 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -66.37 -51.06 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.99 -26.74 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.46 -12.58 59.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -116.06 9.75 14.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.76 20.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.605 HG22 ' H ' ' A' ' 31' ' ' ASN . 64.5 mt -98.75 136.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.48 10.18 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.605 ' H ' HG22 ' A' ' 29' ' ' ILE . 16.6 t-20 -149.73 66.79 8.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.864 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.99 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.611 HG23 HG13 ' A' ' 71' ' ' VAL . 4.6 mt -92.7 106.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.708 HD12 ' H ' ' A' ' 51' ' ' GLY . 1.3 tp -91.77 128.17 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -110.92 126.79 55.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.548 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.4 mp -89.29 109.07 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 144.8 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 48' ' ' TYR . 2.9 t -73.35 154.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -130.3 92.4 35.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 31.3 m-85 -91.47 122.54 34.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.15 159.17 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.65 ' HG2' HD11 ' A' ' 34' ' ' LEU . 9.6 mtt -109.9 174.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.708 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -176.41 -170.93 39.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD1' HG11 ' A' ' 23' ' ' VAL . 1.2 p90 -138.5 126.67 22.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.89 172.68 9.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' HA ' HD12 ' A' ' 33' ' ' ILE . 21.2 m-20 -125.67 -45.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -67.68 179.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.33 155.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 170.86 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -83.3 40.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.72 66.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -108.21 142.0 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.01 81.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -76.74 114.62 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -117.35 120.46 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.96 134.06 53.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 70' ' ' VAL . 1.9 m-30 -113.76 -167.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.62 70.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . . . 74.59 36.33 49.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 38.8 t -152.87 161.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 0.8 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 2.5 mttt -102.56 147.95 26.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 65' ' ' TYR . 46.9 t -146.24 158.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.611 HG13 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -146.56 154.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.895 HD12 ' CG ' ' A' ' 8' ' ' PHE . 4.6 mt -144.57 115.17 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 161.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.2 13.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 14.9 m-85 -80.72 -19.81 44.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -87.87 -18.49 29.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.08 -52.98 70.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -43.79 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.639 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 22.6 m -122.74 49.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 5.5 p-10 -79.54 100.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.94 -24.39 11.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.46 176.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 9.1 pt-20 -132.35 156.29 46.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -135.64 107.75 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.565 ' CG ' HG21 ' A' ' 13' ' ' THR . 24.7 t0 -97.08 123.72 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 3.8 t80 -85.42 138.27 32.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -128.57 147.81 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 2.1 m -153.52 144.36 22.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 85' ' ' LEU . 15.2 mm -109.17 139.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 2.2 mtt180 -127.27 96.95 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.88 117.38 24.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.606 ' CD2' ' ND1' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -74.6 159.41 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.12 110.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -159.49 137.37 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 84' ' ' GLU . 49.0 mmtt -135.99 118.92 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.824 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.02 134.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.85 HG21 ' CG ' ' A' ' 86' ' ' ASP . 43.6 p -55.28 155.81 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -62.94 -24.69 67.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -63.69 -41.62 98.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 19' ' ' GLU . . . -72.08 -51.15 22.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.824 HG23 ' CG1' ' A' ' 12' ' ' VAL . 1.4 t -60.2 -45.95 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -73.86 -5.62 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.4 tp10 -90.2 -17.54 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.895 ' CG2' HD11 ' A' ' 34' ' ' LEU . 1.5 mm -88.06 -31.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -60.0 -36.96 78.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -75.02 -28.65 60.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 1.4 t -77.57 -38.66 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -40.44 55.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -51.72 -44.88 63.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -15.74 63.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.52 8.82 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.99 25.02 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -99.47 136.77 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.75 8.51 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -151.18 75.08 8.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.3 38.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.43 HG23 HG13 ' A' ' 71' ' ' VAL . 7.7 mt -130.59 112.69 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.895 HD11 ' CG2' ' A' ' 20' ' ' ILE . 2.1 mm? -88.95 110.74 21.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -99.02 122.59 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.504 ' CG2' HG23 ' A' ' 72' ' ' ILE . 1.1 mp -88.1 128.17 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -150.89 123.95 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.579 HG22 ' HE1' ' A' ' 48' ' ' TYR . 3.9 t -60.07 120.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.2 p -96.49 117.01 66.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.78 ' CZ ' HG12 ' A' ' 80' ' ' VAL . 92.4 m-85 -88.44 102.81 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -82.56 138.75 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 34' ' ' LEU . 4.7 ptt? -121.9 165.75 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.54 161.83 27.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 33.6 p90 -69.67 115.22 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' OD2' HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -86.14 174.61 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.28 -41.95 84.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -164.63 -178.32 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.502 ' N ' HG23 ' A' ' 55' ' ' THR . 0.3 OUTLIER -83.7 155.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.05 169.87 12.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 20.94 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.23 47.45 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.51 125.81 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.606 ' ND1' ' CD2' ' A' ' 8' ' ' PHE . 10.9 m170 -64.91 101.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.46 119.78 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -115.47 113.34 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.05 132.87 45.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -120.29 -162.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.96 70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.98 17.25 80.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.99 159.45 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -109.99 146.52 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 65' ' ' TYR . 10.0 t -136.83 148.8 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 56' ' ' VAL . 5.3 m -144.25 159.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.504 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.8 mt -143.71 132.82 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.53 158.5 14.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.75 13.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.6 m-85 -94.47 -27.2 16.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.3 m -89.61 -20.51 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.554 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 mmm -58.56 -49.6 92.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.97 2.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -19.8 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.78 HG12 ' CZ ' ' A' ' 48' ' ' TYR . 3.0 m -126.1 2.32 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' MET . 21.5 t-20 -53.41 153.16 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 40.01 50.08 3.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.147 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -153.99 154.91 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 1.4 mt-10 -109.43 160.01 16.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.659 ' HB2' HD12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -132.54 108.87 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.85 ' CG ' HG21 ' A' ' 13' ' ' THR . 3.0 t0 -95.25 122.04 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 75.8 t80 -85.04 128.05 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.2 m-85 -125.1 137.62 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.4 m -137.45 136.04 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.659 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -120.92 140.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -123.22 103.83 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -90.39 148.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE1' ' ND1' ' A' ' 61' ' ' HIS . 37.6 m-85 -81.46 160.86 23.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -86.21 117.28 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.613 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 2.5 t80 -159.68 113.12 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 1.7 mtmt -105.29 131.63 52.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -126.32 130.18 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.618 HG21 ' CG ' ' A' ' 86' ' ' ASP . 61.8 p -53.21 149.12 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.49 -26.33 42.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -40.56 96.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -64.41 -58.05 7.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.651 HG21 ' CD1' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -55.71 -51.31 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -51.75 -40.17 59.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 8.7 tp10 -58.95 -24.94 63.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.856 HG13 HD22 ' A' ' 34' ' ' LEU . 1.4 mm -84.26 -41.48 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -66.75 -42.54 86.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.6 75.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.74 -59.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.729 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -57.88 -35.24 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.98 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -86.36 -3.92 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -121.18 16.7 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 51.13 30.7 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.513 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 73.6 mt -91.69 140.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.26 7.81 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.3 66.16 6.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.729 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 131.08 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 54' ' ' ASP . 13.3 mt -102.2 104.43 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.856 HD22 HG13 ' A' ' 20' ' ' ILE . 40.4 tp -92.39 122.46 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 22.5 ptt85 -115.12 128.28 56.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.38 109.94 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 157.66 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.697 HG22 ' HE2' ' A' ' 48' ' ' TYR . 46.4 t -83.87 118.7 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 39' ' ' VAL . 27.6 m -135.56 88.53 24.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' PHE . 21.2 mp0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.697 ' HE2' HG22 ' A' ' 38' ' ' VAL . 20.4 m-85 -89.17 119.58 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 159.25 19.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.637 ' HE1' HD11 ' A' ' 20' ' ' ILE . 10.5 mtt -98.63 175.28 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.44 168.71 40.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -131.81 98.13 4.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' HB3' HG22 ' A' ' 55' ' ' THR . 1.1 m-20 -130.88 125.98 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.723 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -65.44 -46.34 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 53' ' ' ASP . 15.3 t -42.61 160.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.48 155.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.57 170.7 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.67 24.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.47 53.59 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' HB ' ' A' ' 71' ' ' VAL . 1.1 m-20 -97.41 143.48 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.63 ' ND1' ' CE1' ' A' ' 8' ' ' PHE . 7.9 m-70 -74.07 102.55 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -76.11 115.08 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 72' ' ' ILE . 3.2 m-85 -116.08 112.84 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.37 128.04 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.651 ' CD1' HG21 ' A' ' 17' ' ' VAL . 2.7 m-85 -122.57 -166.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.15 70.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.42 35.8 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 32' ' ' PRO . 47.2 t -145.63 145.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 146.08 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.675 HG22 ' HB3' ' A' ' 34' ' ' LEU . 2.6 t -132.69 158.28 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.2 m -144.87 110.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.666 HD12 ' CE1' ' A' ' 63' ' ' PHE . 4.1 mt -94.72 171.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.545 ' H ' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -101.91 160.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.19 15.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.448 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 6.1 m-85 -90.5 -8.51 50.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.763 ' O ' HG22 ' A' ' 80' ' ' VAL . 7.8 t -89.1 -25.8 21.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.498 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -57.42 -51.44 81.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.97 2.28 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.558 1.82 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -23.53 9.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 76' ' ' SER . 11.2 m -138.69 40.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -69.73 105.15 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.18 -4.75 61.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.28 169.78 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 2.2 pt-20 -126.96 139.64 52.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.55 107.43 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.618 ' CG ' HG21 ' A' ' 13' ' ' THR . 18.2 t0 -97.19 104.81 16.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.608 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 12.1 t80 -85.62 132.31 34.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -120.44 139.61 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 2.6 m -157.56 143.7 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.52 144.99 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 100.8 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -73.3 131.61 82.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.697 ' CD2' ' CG ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -83.6 159.79 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.14 110.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CD1' HD13 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -159.1 145.06 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 5.2 mppt? -144.05 128.89 18.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.819 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -133.02 128.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.0 p -62.27 166.32 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -31.3 72.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -57.43 -44.41 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.49 37.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.819 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.9 t -55.69 -48.32 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.8 tm-20 -59.18 -45.06 92.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 3.6 tm-20 -46.0 -34.89 4.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.832 ' CG2' HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -79.59 -35.87 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.6 mmtp -56.66 -34.46 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -74.99 -42.22 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.97 -40.28 88.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -75.41 -41.03 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -45.56 74.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.37 -19.84 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.87 4.18 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 t30 60.55 32.64 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.451 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 85.3 mt -94.57 136.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -114.26 5.08 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -151.47 72.4 8.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.06 122.46 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 mt -103.52 96.28 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.832 HD11 ' CG2' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.7 137.27 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 33.4 ttp180 -108.11 152.6 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 48' ' ' TYR . 6.0 mm -88.75 128.63 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 120.84 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.664 HG21 ' CG ' ' A' ' 79' ' ' TYR . 82.1 t -76.84 125.4 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -100.38 136.35 20.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.905 ' CD2' HG11 ' A' ' 80' ' ' VAL . 51.9 p90 -81.2 115.96 20.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . . . -80.75 159.2 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.15 175.12 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.43 126.22 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 7.0 p90 -68.98 122.56 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -100.13 175.0 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -44.87 83.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 t -165.3 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.082 HG23 HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -81.25 155.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' NH1' ' A' ' 35' ' ' ARG . 18.8 mt-10 -79.26 170.98 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -85.33 23.73 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.4 55.22 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -123.24 136.01 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.697 ' CG ' ' CD2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -65.13 97.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.69 115.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 8.4 t80 -116.32 120.49 39.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.5 126.58 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.755 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 4.3 m-85 -101.21 -168.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.526 ' HB3' HG11 ' A' ' 17' ' ' VAL . 2.4 t70 -67.38 70.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.9 34.08 35.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 67' ' ' GLY . 60.5 t -153.34 159.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -100.9 154.86 18.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.755 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 22.2 t -153.38 161.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.082 HG11 HG23 ' A' ' 56' ' ' VAL . 1.2 m -146.81 116.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.69 HD13 ' CD1' ' A' ' 10' ' ' PHE . 4.0 mt -94.42 138.94 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.67 159.03 80.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.48 12.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 7.4 m-85 -89.84 -29.48 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.459 ' OG ' HG23 ' A' ' 38' ' ' VAL . 23.2 t -88.32 -19.42 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.603 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.43 -52.13 76.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.0 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.664 ' CG ' HG21 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -97.97 -28.96 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.905 HG11 ' CD2' ' A' ' 48' ' ' TYR . 17.7 m -135.77 37.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -76.24 148.21 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.05 49.35 13.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.54 150.91 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.747 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 pt-20 -102.72 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 48' ' ' TYR . 1.3 tp -121.41 106.29 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.97 131.09 45.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 4.2 t80 -85.91 130.44 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' HB ' ' A' ' 97' ' ' THR . 52.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 49' ' ' ALA . 20.7 m-85 -112.49 145.66 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.609 ' HB ' HG23 ' A' ' 88' ' ' VAL . 3.1 m -145.62 143.64 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.484 HD11 ' CE2' ' A' ' 48' ' ' TYR . 49.3 mm -100.3 137.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.8 103.39 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.94 129.81 74.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.457 ' N ' ' HD1' ' A' ' 61' ' ' HIS . 45.7 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.5 p90 -100.84 138.88 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mm -86.97 109.79 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 27.7 t80 -160.5 137.34 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 23.4 mmtt -105.53 129.73 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -125.02 137.31 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 86' ' ' ASP . 6.6 p -57.94 170.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.37 -30.04 61.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -36.98 85.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.558 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -63.23 -55.17 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -57.71 -46.06 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.76 -31.33 72.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 3.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.69 HG23 ' HG ' ' A' ' 34' ' ' LEU . 2.2 mm -74.27 -33.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.31 -31.03 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -51.1 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.36 -30.78 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.96 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.0 -11.32 59.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.04 7.97 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.4 t30 44.55 40.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -99.66 127.11 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.29 7.42 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -151.24 66.18 7.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.96 120.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.97 96.1 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.69 ' HG ' HG23 ' A' ' 20' ' ' ILE . 1.6 mm? -95.34 139.55 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CG ' HG23 ' A' ' 71' ' ' VAL . 2.0 tmm_? -120.6 143.01 48.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 36' ' ' ILE . 18.6 mm -89.23 137.51 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -142.02 165.64 26.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.519 HG22 ' CE1' ' A' ' 48' ' ' TYR . 2.6 t -112.01 109.6 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 33.5 m -101.8 134.09 20.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 44.5 m-85 -81.7 126.63 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.68 159.04 16.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.498 ' HB2' HD12 ' A' ' 34' ' ' LEU . 17.5 ptp -100.61 173.78 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.449 ' C ' HD13 ' A' ' 34' ' ' LEU . . . -178.16 113.21 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 54.9 p90 -68.9 121.27 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.34 175.23 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -18.29 46.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -171.3 177.44 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.544 HG23 HG11 ' A' ' 71' ' ' VAL . 1.3 p -95.52 154.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.8 170.55 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.96 23.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.58 61.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.51 134.34 49.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.457 ' HD1' ' N ' ' A' ' 7' ' ' GLN . 98.5 m-70 -64.29 93.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.553 HG23 HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -81.78 134.08 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -116.59 133.62 55.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.29 122.69 33.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.657 ' CD1' HG21 ' A' ' 17' ' ' VAL . 4.7 m-85 -115.83 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.99 72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.31 22.02 79.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.4 155.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HG2' HG22 ' A' ' 62' ' ' VAL . 2.9 tttt -114.58 144.28 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -145.8 155.89 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG12 HG23 ' A' ' 62' ' ' VAL . 1.2 m -144.72 164.97 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.579 HD12 ' CD1' ' A' ' 8' ' ' PHE . 63.6 mt -146.7 117.11 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.3 m-20 -39.18 154.79 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.24 -27.73 21.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.453 ' OG ' HG23 ' A' ' 38' ' ' VAL . 68.0 m -88.77 -18.92 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.502 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.1 -51.14 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.96 1.8 7.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.22 -25.89 14.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.59 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 32.2 m -139.48 38.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 3.5 p30 -78.9 120.64 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.98 -32.58 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 177.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.941 ' O ' HG23 ' A' ' 98' ' ' ILE . 29.8 tt0 -134.29 132.36 39.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -110.34 113.87 26.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.588 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -97.02 100.72 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.591 ' OH ' ' CE2' ' A' ' 96' ' ' PHE . 6.0 t80 -85.53 122.57 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.3 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.591 ' CE2' ' OH ' ' A' ' 87' ' ' TYR . 25.0 m-85 -92.45 114.59 27.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 86' ' ' ASP . 7.4 t -145.78 138.27 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.941 HG23 ' O ' ' A' ' 84' ' ' GLU . 4.4 mp -120.86 138.0 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.51 104.47 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -53.07 153.85 5.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 6.4 tt0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 4.8 m-30 -87.65 160.93 17.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -83.23 112.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -157.21 149.4 22.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -137.35 146.2 44.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.774 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -129.72 134.56 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 13' ' ' THR . 49.5 p -54.27 154.53 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -39.58 75.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -61.42 -43.7 98.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.576 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -60.53 -46.83 88.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.847 HG22 ' CD2' ' A' ' 65' ' ' TYR . 1.2 t -66.8 -56.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -57.37 -24.62 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' C ' HD13 ' A' ' 20' ' ' ILE . 17.2 tp10 -67.88 -18.59 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.729 HG23 HD23 ' A' ' 34' ' ' LEU . 2.1 mm -85.5 -40.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 39.0 mtmt -62.37 -42.52 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -60.96 -26.56 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 52' ' ' PHE . 2.3 t -90.17 -33.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.24 -48.16 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -60.79 -24.77 66.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -16.62 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -112.93 4.79 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 59.16 36.59 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.85 132.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.22 8.57 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -151.32 66.7 7.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.95 142.33 27.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.474 HG23 HG13 ' A' ' 71' ' ' VAL . 7.2 mt -124.66 100.42 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.729 HD23 HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -92.39 131.87 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HA ' HG22 ' A' ' 71' ' ' VAL . 3.6 ptt180 -110.1 146.54 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.662 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.5 mp -103.25 109.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.83 157.3 37.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.633 HG22 ' CE2' ' A' ' 48' ' ' TYR . 1.5 t -94.19 137.89 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.3 p -162.9 107.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 7.2 m-85 -98.77 125.02 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.527 ' CE ' HD11 ' A' ' 20' ' ' ILE . 12.6 mtt -91.01 174.62 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.3 129.24 1.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.448 ' CD2' HG11 ' A' ' 23' ' ' VAL . 7.5 p90 -108.08 108.48 19.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -107.5 175.12 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 55' ' ' THR . 57.4 m-20 -128.06 59.98 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 8.2 t -176.2 150.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.05 155.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.74 170.6 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -82.05 42.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.26 72.48 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -120.79 141.71 50.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 0.716 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.838 ' CD2' HD12 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -65.38 94.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.589 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.26 108.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.662 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -116.66 120.99 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.31 125.05 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.968 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.8 m-30 -105.5 -168.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.92 70.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 77.18 34.72 40.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 32' ' ' PRO . 41.7 t -151.92 157.02 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 149.23 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.968 HG21 ' CE2' ' A' ' 65' ' ' TYR . 2.4 t -138.46 161.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.4 m -145.44 160.22 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 61' ' ' HIS . 3.1 mt -149.2 165.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.07 158.62 33.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.59 13.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.484 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -90.14 -14.39 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 1.029 ' O ' HG22 ' A' ' 80' ' ' VAL . 74.9 m -89.55 -20.45 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.8 -48.97 96.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.96 1.69 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -5.61 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.029 HG22 ' O ' ' A' ' 76' ' ' SER . 31.1 m -143.07 34.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 2.3 p30 -54.26 122.18 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.74 28.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . . . -76.06 178.52 6.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -141.25 106.25 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 97' ' ' THR . 1.8 tp -73.1 107.3 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' A' ' 97' ' ' THR . 0.7 OUTLIER -97.35 139.01 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 4.7 t80 -85.93 122.79 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.7 p90 -129.77 107.05 9.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.842 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.12 152.62 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.413 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 85' ' ' LEU . 4.6 tp -129.9 124.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.81 97.16 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.78 154.89 61.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.563 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 33.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 2.9 m-30 -106.06 159.98 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.15 113.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -159.06 129.99 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -134.58 126.15 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.773 HG22 ' CB ' ' A' ' 16' ' ' ALA . 3.3 p -105.41 149.4 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 p -63.73 143.91 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -33.3 20.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . 4.8 tptt -64.88 -43.91 91.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.773 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -54.79 -45.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 65' ' ' TYR . 1.6 t -73.75 -48.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.06 -23.19 61.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' LYS . 17.8 tp10 -68.45 -76.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 34' ' ' LEU . 2.1 mp -48.06 -23.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -53.44 -38.76 63.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -75.55 -42.69 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.78 -36.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -71.75 -39.65 69.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -36.62 83.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -8.03 51.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -112.18 10.92 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.8 t30 54.76 33.59 19.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -99.63 148.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -127.93 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.92 66.81 7.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.96 142.14 27.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.442 HG23 HG13 ' A' ' 71' ' ' VAL . 63.2 mt -124.74 97.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.56 129.69 37.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -109.01 133.78 52.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' ' CG1' ' A' ' 70' ' ' VAL . 4.0 mp -88.61 108.67 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 156.71 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' CD2' ' A' ' 79' ' ' TYR . 43.9 t -80.9 134.25 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.0 85.63 57.63 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 20.0 m-85 -84.81 105.2 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.11 159.05 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.57 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -94.27 175.39 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.86 113.61 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.715 ' HA ' HD13 ' A' ' 34' ' ' LEU . 11.0 p90 -68.92 125.14 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.0 175.34 6.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.4 p30 -148.13 64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 10.0 t -175.66 149.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.95 155.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 3.1 mm-40 -108.58 170.18 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -84.7 38.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.83 58.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -116.14 137.73 51.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.693 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 1.1 t60 -65.04 121.18 14.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.688 HG22 ' HE3' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -95.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -118.27 111.91 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.92 124.18 27.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.662 ' CE2' HG12 ' A' ' 12' ' ' VAL . 3.1 m-85 -111.74 -165.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.25 69.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 85.86 -20.12 21.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG13 ' HG2' ' A' ' 32' ' ' PRO . 19.9 t -96.86 171.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.688 ' HE3' HG22 ' A' ' 62' ' ' VAL . 14.8 tttt -137.91 150.28 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 34' ' ' LEU . 9.9 t -131.49 152.37 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.7 m -144.32 110.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 mt -93.37 158.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.41 159.51 50.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.28 13.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 11.9 m-85 -88.91 -23.47 22.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 80' ' ' VAL . 39.9 t -89.26 -18.37 27.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.03 -49.5 92.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.578 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -106.52 -23.18 12.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.658 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 34.6 m -135.1 43.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -82.54 142.8 31.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 45.05 55.54 6.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.55 169.61 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -125.38 150.27 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.534 ' HA ' HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -107.47 108.93 20.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 97' ' ' THR . 36.9 t0 -95.18 104.77 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -85.46 118.68 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 95' ' ' GLY . 17.5 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.42 138.06 51.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 1.2 m -157.33 134.14 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 85' ' ' LEU . 27.1 mm -111.73 129.61 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 116.64 32.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -119.36 119.08 32.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.7 ' CD1' ' HE1' ' A' ' 77' ' ' MET . 8.3 t80 -74.41 161.98 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' ' CZ ' ' A' ' 8' ' ' PHE . 10.6 mm -79.46 109.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 26.6 t80 -159.37 135.24 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -137.02 111.48 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -108.76 137.63 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -57.99 168.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.69 90.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.713 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -61.56 -51.98 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.652 HG23 ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -61.02 -55.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 17' ' ' VAL . 2.3 tt0 -51.56 -26.67 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.571 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 11.5 tp10 -58.98 -37.7 77.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.052 ' CG1' HD13 ' A' ' 34' ' ' LEU . 2.5 mp -74.05 -35.69 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -58.34 -44.12 88.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -48.92 34.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.74 -40.4 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -73.07 -39.54 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.01 -39.48 74.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -4.59 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -116.82 5.06 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t30 54.47 34.98 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -99.18 141.93 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -118.76 6.43 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -151.34 66.35 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.452 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.98 161.26 39.11 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.76 114.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.052 HD13 ' CG1' ' A' ' 20' ' ' ILE . 9.1 tp -92.38 130.84 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HA ' HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -120.01 139.68 52.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.972 HG21 HG21 ' A' ' 80' ' ' VAL . 8.2 mm -92.45 111.7 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -128.57 134.98 48.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.489 HG21 ' CD2' ' A' ' 79' ' ' TYR . 2.3 t -78.68 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -151.93 125.84 4.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.868 ' CE2' HG12 ' A' ' 80' ' ' VAL . 2.6 m-85 -78.65 137.17 37.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.73 158.5 25.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.755 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -136.68 145.26 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.18 172.93 45.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 41.8 p90 -77.95 127.3 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.94 173.61 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -34.61 28.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -166.09 173.15 10.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.746 HG23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -91.12 155.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.33 170.17 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -87.33 21.77 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.59 52.05 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -111.81 168.54 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.9 95.94 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.04 116.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -115.23 112.74 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -73.07 134.57 44.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.88 -155.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -66.11 71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 64.86 39.12 96.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 67' ' ' GLY . 49.0 t -152.43 144.62 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.57 129.16 56.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 71' ' ' VAL . 54.0 t -102.9 161.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -144.74 156.94 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.895 HG23 ' HB ' ' A' ' 36' ' ' ILE . 7.2 mt -144.12 105.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.1 m-20 -39.21 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 18.5 Cg_endo -74.96 -20.9 16.5 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.415 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -84.99 -28.5 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' VAL . 10.9 p -88.44 -17.61 30.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.7 ' HE1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.75 -51.45 80.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.044 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -75.05 1.56 7.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -112.27 -11.08 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.972 HG21 HG21 ' A' ' 36' ' ' ILE . 4.4 m -143.63 48.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 5.8 p-10 -91.78 139.23 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.2 57.26 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.74 175.99 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 98' ' ' ILE . 6.8 pt-20 -132.18 173.63 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.548 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -133.88 107.71 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 97' ' ' THR . 45.9 t0 -96.62 133.9 40.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 40.5 t80 -85.63 99.87 11.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 97' ' ' THR . 15.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.69 106.63 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.637 HG21 HG21 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -144.19 139.52 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 84' ' ' GLU . 3.5 mp -131.67 142.9 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.04 124.95 40.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -99.49 140.65 21.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 3.1 pt20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.645 ' O ' ' CE1' ' A' ' 61' ' ' HIS . 2.1 m-85 -120.15 159.7 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mm -85.11 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -154.74 112.77 3.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -106.12 117.49 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.633 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.83 136.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -58.56 171.6 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.92 -27.76 57.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -42.75 92.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 87' ' ' TYR . . . -64.41 -50.27 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.633 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.1 t -55.68 -48.93 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.67 -40.3 94.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 15.9 tp10 -54.22 -30.39 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.799 HG23 ' HG ' ' A' ' 34' ' ' LEU . 3.0 mm -67.59 -36.33 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -27.22 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -30.67 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.74 -32.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.15 -42.59 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -54.42 -24.98 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -2.49 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.0 2.3 8.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.6 t30 54.29 38.3 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 31' ' ' ASN . 71.2 mt -99.69 127.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 7.66 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.478 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.1 p-10 -151.12 66.79 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -74.99 115.13 4.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 91.4 mt -100.82 97.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.799 ' HG ' HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.58 137.3 32.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -117.75 140.41 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.906 ' HB ' HG23 ' A' ' 72' ' ' ILE . 6.5 mm -89.45 139.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.8 144.74 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.768 HG22 ' HE1' ' A' ' 48' ' ' TYR . 21.7 t -82.15 115.12 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.0 p -130.02 83.59 63.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.54 1.811 . . . . 0.0 111.002 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.494 ' OE1' ' CG2' ' A' ' 98' ' ' ILE . 10.6 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.768 ' HE1' HG22 ' A' ' 38' ' ' VAL . 25.9 m-85 -78.16 117.79 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.36 21.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.595 ' SD ' HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -96.16 167.07 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.24 117.64 0.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 37.0 p90 -70.07 128.91 37.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.62 175.37 6.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -100.28 -9.11 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 56' ' ' VAL . 1.8 m -165.67 168.27 16.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER -95.03 155.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.14 170.71 12.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 24.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.3 59.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -122.5 148.78 44.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.804 ' HB3' HD12 ' A' ' 72' ' ' ILE . 21.1 t-160 -66.14 72.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.6 p -76.31 98.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -116.1 143.86 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 11.9 mt-10 -87.87 139.2 30.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 63' ' ' PHE . 49.4 m-85 -129.63 -160.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -64.99 71.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 70.31 16.13 73.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 32' ' ' PRO . 59.5 t -131.89 163.46 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HD2' HG22 ' A' ' 62' ' ' VAL . 1.3 mmtp -128.02 142.88 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 65' ' ' TYR . 14.0 t -132.8 152.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 3.6 m -145.16 158.65 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.906 HG23 ' HB ' ' A' ' 36' ' ' ILE . 1.3 mp -140.79 122.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -39.47 157.88 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.95 15.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 5.9 m-85 -86.44 -25.11 25.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.789 ' O ' HG22 ' A' ' 80' ' ' VAL . 8.5 m -89.13 -18.64 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.28 -49.43 93.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.03 2.61 6.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -18.42 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 76' ' ' SER . 26.2 m -137.62 34.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.72 113.0 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 -7.7 60.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.693 ' HB1' HD11 ' A' ' 98' ' ' ILE . . . -70.12 158.44 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -115.2 121.5 43.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.595 HD21 ' SD ' ' A' ' 50' ' ' MET . 1.2 tp -89.08 106.91 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.2 98.52 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 96' ' ' PHE . 0.8 OUTLIER -86.06 129.23 34.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.584 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 8.0 p90 -72.78 138.11 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.8 m -159.29 154.12 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.693 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -136.46 134.15 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -107.19 113.28 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.79 144.3 29.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.622 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 2.0 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 9.2 m-85 -74.86 160.47 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mm -74.71 116.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -159.56 129.31 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -133.16 121.38 22.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.686 HG22 ' CB ' ' A' ' 16' ' ' ALA . 1.8 p -110.85 144.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 16' ' ' ALA . 17.0 p -58.64 136.55 57.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.469 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -43.95 88.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.686 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -55.8 -46.41 78.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.595 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.2 t -68.16 -44.46 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.62 -33.89 68.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 28.8 tp10 -57.08 -31.96 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 3.3 mp -73.28 -38.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mppp? -50.75 -41.26 56.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.15 -51.38 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.64 -38.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.422 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.85 -42.46 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.94 -43.99 63.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -6.95 44.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -119.38 4.25 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' ALA . 45.6 t30 50.33 42.26 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.9 mt -99.39 139.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.73 4.25 16.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -151.26 65.33 6.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.533 ' O ' HG12 ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.01 116.26 4.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.81 95.39 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' CG1' ' A' ' 20' ' ' ILE . 3.3 mm? -92.16 141.34 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 25.5 ptt-85 -108.01 144.71 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.973 HG22 HG23 ' A' ' 72' ' ' ILE . 1.3 mp -104.39 117.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -143.69 169.71 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.834 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 23.4 t -79.85 147.8 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 48' ' ' TYR . 67.5 t -109.59 100.68 43.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.834 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 7.9 m-85 -79.0 148.44 32.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.62 148.83 47.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.594 ' SD ' ' CE2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -102.81 169.24 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' HD12 ' A' ' 34' ' ' LEU . . . 178.35 121.13 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 24.4 p90 -68.52 117.5 10.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.42 175.09 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.51 -52.17 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 56' ' ' VAL . 1.5 t -165.03 -177.65 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.789 HG23 HG11 ' A' ' 71' ' ' VAL . 8.8 p -77.28 156.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.39 171.0 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -82.94 18.95 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.54 57.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.78 165.23 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.796 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -76.77 98.44 4.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -76.58 100.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.11 111.68 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.4 126.45 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 67' ' ' GLY . 4.1 m-85 -112.32 -163.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -64.27 70.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 88.88 -29.24 5.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 32' ' ' PRO . 1.8 t -95.4 173.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.514 ' H ' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -141.75 147.73 37.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 70.6 t -124.36 160.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.789 HG11 HG23 ' A' ' 56' ' ' VAL . 1.4 m -145.82 110.79 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.973 HG23 HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -94.9 152.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.47 156.72 86.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -24.52 12.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.3 t80 -90.77 -30.46 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -89.05 -19.88 25.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.579 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 3.4 mmm -57.96 -50.09 90.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.96 1.72 7.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 -17.83 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -135.69 34.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.9 t-20 -45.62 129.02 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.54 26.38 0.39 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.53 155.33 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -113.52 106.9 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.638 ' HB2' HD12 ' A' ' 98' ' ' ILE . 1.6 tp -85.12 106.53 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 97' ' ' THR . 10.5 t0 -98.38 105.79 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' SD ' ' A' ' 50' ' ' MET . 11.9 t80 -86.2 111.92 20.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.5 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.73 142.11 34.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -150.11 129.17 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.638 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -131.82 126.05 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.42 129.66 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -138.08 140.25 28.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.657 ' CG ' HD13 ' A' ' 72' ' ' ILE . 16.5 t80 -87.31 124.49 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mm -84.74 109.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 13.7 t80 -159.57 148.8 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -131.45 108.98 9.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.929 HG12 ' OH ' ' A' ' 65' ' ' TYR . 2.1 p -113.66 147.78 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -63.79 143.5 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.83 -26.86 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -65.07 -39.01 92.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.655 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -67.78 -50.34 57.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.823 HG21 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -64.86 -54.27 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 17' ' ' VAL . 11.4 tm-20 -52.19 -30.94 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -66.62 -33.57 75.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.972 HG13 HD22 ' A' ' 34' ' ' LEU . 2.0 mm -70.46 -29.49 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -77.71 -35.11 52.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.73 -51.17 24.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.628 HG12 ' CE2' ' A' ' 52' ' ' PHE . 13.7 t -55.13 -37.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.23 -45.33 40.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -55.87 -32.18 63.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -3.8 54.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -124.08 10.42 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.2 t30 54.52 34.56 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.28 125.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -105.09 8.45 34.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -149.7 66.62 8.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -75.01 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.5 mt -89.44 104.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.972 HD22 HG13 ' A' ' 20' ' ' ILE . 14.2 tp -90.68 112.19 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -107.51 134.67 50.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 mp -90.0 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.52 127.85 47.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.766 HG22 ' HE2' ' A' ' 48' ' ' TYR . 3.3 t -65.62 108.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.4 p -106.19 114.6 62.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.766 ' HE2' HG22 ' A' ' 38' ' ' VAL . 49.0 m-85 -115.52 123.43 48.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.58 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.78 159.04 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -117.31 153.89 32.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.64 178.5 48.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.628 ' CE2' HG12 ' A' ' 23' ' ' VAL . 17.9 m-30 -109.67 96.39 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.82 153.86 15.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.36 89.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -52.85 -173.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.54 ' N ' HG23 ' A' ' 55' ' ' THR . 1.2 t -76.18 153.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -115.78 171.05 8.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -84.05 21.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.79 45.27 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.28 131.13 56.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.03 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.96 HG23 HG12 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -76.49 123.19 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.627 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.51 137.74 52.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.1 145.98 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.929 ' OH ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -137.51 -157.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 73.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 59.08 45.09 95.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.3 t -151.28 150.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 139.56 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 34' ' ' LEU . 12.5 t -139.66 142.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.96 HG12 HG23 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -145.47 156.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.657 HD13 ' CG ' ' A' ' 8' ' ' PHE . 4.6 mp -142.06 138.6 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -60.29 160.48 17.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -83.77 -22.48 31.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -89.2 -18.0 27.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.9 -49.35 93.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.92 3.14 5.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.425 ' CD1' ' OH ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -101.19 -41.55 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.584 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 12.2 m -123.96 50.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -92.1 131.84 37.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.56 62.34 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.33 -179.12 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -136.32 153.23 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -136.33 118.73 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -95.87 112.39 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 30.5 t80 -85.49 124.5 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' GLY . 54.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -93.14 114.04 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.562 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.6 m -122.8 126.2 46.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.605 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -110.26 129.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.96 136.25 44.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -129.23 128.35 23.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.8 ' HZ ' HG23 ' A' ' 80' ' ' VAL . 2.6 t80 -94.4 125.46 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mm -85.85 110.24 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 25.7 t80 -155.9 151.3 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -132.43 109.56 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.567 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -111.38 147.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.88 177.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.43 -21.92 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -47.29 76.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -59.31 -56.44 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.803 HG22 ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -55.06 -44.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.0 -40.05 83.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' OE2' ' CE2' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -56.21 -46.99 79.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.741 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.4 mm -55.21 -38.6 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 21.4 mttt -64.95 -40.88 95.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -53.45 -50.53 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.0 -24.03 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -75.39 -51.74 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -36.17 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -6.79 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -138.1 15.58 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ALA . 16.7 t30 41.59 45.02 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 2.9 mt -96.87 107.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.08 4.99 17.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.8 68.73 8.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.0 115.73 4.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.425 ' CG1' ' HB2' ' A' ' 69' ' ' LYS . 25.3 mt -101.03 95.79 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -101.29 152.64 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' N ' HD22 ' A' ' 34' ' ' LEU . 20.0 ptt180 -125.67 143.94 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.659 ' CG2' HG23 ' A' ' 72' ' ' ILE . 5.8 tp -90.34 145.3 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -141.18 163.26 33.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.648 HG22 ' CE2' ' A' ' 48' ' ' TYR . 2.1 t -102.02 130.56 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.59 92.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 96' ' ' PHE . 23.2 mp0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.648 ' CE2' HG22 ' A' ' 38' ' ' VAL . 7.0 m-85 -104.61 135.41 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.7 159.75 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.633 ' CE ' ' HB1' ' A' ' 16' ' ' ALA . 1.4 mtt -113.3 157.04 22.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.41 131.25 1.53 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 29' ' ' ILE . 9.1 t80 -68.55 128.37 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.793 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 7.4 t70 -88.66 175.22 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.65 -40.97 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 56' ' ' VAL . 1.1 t -164.78 -177.57 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' THR . 1.0 OUTLIER -83.3 156.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.83 169.99 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -87.35 23.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.96 63.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 135.98 38.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -67.39 90.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.758 HG23 HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -76.59 117.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -115.52 117.48 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.75 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.825 ' CE2' HG21 ' A' ' 70' ' ' VAL . 1.1 m-30 -119.14 -165.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.23 70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.71 20.4 71.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 69' ' ' LYS . 64.2 t -138.61 165.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' HG12 ' A' ' 68' ' ' VAL . 2.5 mttt -110.93 148.1 33.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.83 HG22 HD11 ' A' ' 34' ' ' LEU . 91.6 t -142.17 150.87 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.758 HG12 HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -146.87 155.22 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.659 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.1 mp -143.12 140.05 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.12 163.05 8.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.47 8.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.433 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -80.54 -20.33 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.567 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.7 t -88.6 -18.03 28.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.745 ' HE2' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.79 -50.57 86.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.0 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.63 -36.03 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG23 ' HZ ' ' A' ' 8' ' ' PHE . 30.9 m -126.41 50.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -97.29 134.55 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.28 62.54 4.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 -179.98 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -136.19 143.98 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -128.94 116.66 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.499 ' OD2' ' CG2' ' A' ' 97' ' ' THR . 2.9 p-10 -95.97 105.75 17.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 50' ' ' MET . 1.1 t80 -85.49 124.66 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' GLY . 25.5 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 47' ' ' GLN . 3.1 p90 -81.3 143.83 31.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.499 ' CG2' ' OD2' ' A' ' 86' ' ' ASP . 1.3 m -159.53 138.29 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.437 HD11 ' HD1' ' A' ' 48' ' ' TYR . 6.5 mt -122.88 139.56 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -126.97 97.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.53 137.71 76.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 5.7 p90 -106.77 141.07 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mm -86.87 107.8 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -161.85 152.68 17.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 12.6 mtmt -123.84 135.78 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.576 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -133.52 134.92 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.603 HG21 ' CG ' ' A' ' 86' ' ' ASP . 40.6 p -58.6 172.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.1 m-20 -75.88 -26.34 56.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -65.01 -46.59 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -59.39 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 65' ' ' TYR . 1.4 t -55.14 -48.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 63.8 mt-10 -51.09 -51.35 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE1' ' CE2' ' A' ' 87' ' ' TYR . 1.3 tt0 -45.6 -49.44 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.635 HG12 HD13 ' A' ' 34' ' ' LEU . 1.2 mp -66.66 -41.71 88.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.685 ' HG3' HG21 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -59.29 -44.22 92.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -48.15 42.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 52' ' ' PHE . 2.5 t -50.81 -56.27 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -60.29 -43.25 96.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.96 -35.06 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.38 -6.77 54.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -116.74 8.69 13.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 62.64 33.43 15.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.583 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 95.4 mt -99.44 145.31 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.13 6.56 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.29 66.87 7.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.586 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 160.21 40.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.4 113.55 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.988 ' HB3' HG22 ' A' ' 70' ' ' VAL . 38.1 tp -92.59 114.52 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -109.83 117.93 35.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.76 112.59 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.76 154.41 30.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.807 HG22 ' CE2' ' A' ' 48' ' ' TYR . 92.3 t -85.28 132.95 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.5 t -116.94 84.95 16.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' HG22 ' A' ' 98' ' ' ILE . 9.4 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.807 ' CE2' HG22 ' A' ' 38' ' ' VAL . 56.6 m-85 -94.37 118.58 31.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -82.01 158.92 23.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.717 ' SD ' HD11 ' A' ' 34' ' ' LEU . 1.4 mmm -107.97 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.32 -172.47 44.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.631 ' CD1' HG11 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -137.45 123.64 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -114.68 174.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.12 44.26 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 t -164.86 152.49 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.45 154.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -98.81 170.66 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 45.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 66.85 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -125.66 126.11 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 8' ' ' PHE . 96.7 m-70 -64.08 104.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.0 128.44 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.631 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -118.31 134.67 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -91.81 106.74 18.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.64 ' CE1' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -99.52 -160.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.88 70.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.57 33.7 60.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.685 HG21 ' HG3' ' A' ' 21' ' ' LYS . 41.7 t -147.87 157.68 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -119.19 143.1 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 34' ' ' LEU . 12.4 t -129.96 149.19 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.2 m -145.34 151.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ASP . 12.0 mt -145.6 120.66 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ILE . 3.0 m-20 -39.48 158.43 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.51 16.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -88.29 -29.99 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.758 ' O ' HG22 ' A' ' 80' ' ' VAL . 79.8 p -89.26 -18.67 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.514 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -56.59 -49.7 92.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.6 Cg_endo -74.95 1.18 7.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 75' ' ' PHE . 12.9 m-85 -107.61 -19.98 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 76' ' ' SER . 30.3 m -135.74 47.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -100.69 140.22 35.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.11 60.88 5.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.18 158.31 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.95 134.24 44.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 0.8 OUTLIER -120.68 106.8 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.603 ' CG ' HG21 ' A' ' 13' ' ' THR . 1.7 t0 -97.92 101.34 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.709 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 3.8 t80 -85.28 110.93 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 9.5 m-85 -76.68 120.74 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 127.6 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.431 HG22 ' OE1' ' A' ' 47' ' ' GLN . 1.5 tt -126.41 123.24 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.78 129.77 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.97 146.77 52.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 15.3 p90 -120.72 124.77 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.91 135.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -159.63 127.75 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -93.08 114.7 27.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.486 HG11 HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -131.45 125.55 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 p -58.69 151.06 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.61 -28.05 43.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -39.51 94.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -66.43 -58.2 5.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG21 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -54.59 -46.93 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -57.01 -40.51 76.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -47.26 -32.99 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.976 HG13 HD22 ' A' ' 34' ' ' LEU . 2.4 mp -76.55 -42.68 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -51.54 -38.54 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -48.01 21.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 t -57.67 -39.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.29 -41.03 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.91 -47.11 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.73 -13.28 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' ALA . 18.5 m120 -109.84 -0.4 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.8 t30 52.37 41.54 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.746 HG22 ' H ' ' A' ' 31' ' ' ASN . 59.4 mt -99.93 144.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.77 4.25 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.746 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -151.72 66.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 118.24 5.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mt -105.53 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.976 HD22 HG13 ' A' ' 20' ' ' ILE . 2.3 mp -98.51 142.5 30.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 20.3 ttp180 -107.98 146.86 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -114.92 110.77 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 171.45 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG22 ' CE2' ' A' ' 48' ' ' TYR . 3.2 t -80.65 125.65 39.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -126.52 124.9 24.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 96' ' ' PHE . 1.2 pp0? . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 98' ' ' ILE . 10.2 m-85 -114.75 116.16 28.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.09 159.21 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.933 ' HB2' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.47 161.81 26.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . -177.4 134.52 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 33.6 p90 -68.78 125.11 25.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASP . 16.6 t0 -106.71 175.14 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.4 p-10 -39.68 -52.31 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.7 t -174.41 -176.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.778 HG23 HG11 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -76.81 155.73 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -81.26 171.04 15.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.95 23.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.87 56.01 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -120.39 134.73 55.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.604 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 2.8 m-70 -62.94 85.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.895 HG23 HG12 ' A' ' 71' ' ' VAL . 2.5 p -89.11 134.94 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.629 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.52 152.69 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -98.16 118.41 34.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -107.99 -164.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.75 70.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.81 -4.57 60.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 69' ' ' LYS . 58.6 t -106.85 163.71 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' N ' HG12 ' A' ' 68' ' ' VAL . 1.4 mttp -124.83 148.8 48.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 25.5 t -146.62 159.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.895 HG12 HG23 ' A' ' 62' ' ' VAL . 1.5 m -144.43 159.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 8' ' ' PHE . 8.9 mt -147.51 129.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.09 153.57 0.51 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -90.42 -29.48 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -89.85 -19.37 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.537 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 4.0 mmm -57.5 -48.77 96.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.97 1.6 7.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' C ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -102.21 -0.94 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 4.4 m -151.77 22.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -44.72 124.65 4.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 43.19 28.72 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.44 162.67 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -110.13 104.8 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.725 ' HB2' HD12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -104.42 108.05 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -96.81 100.78 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 50' ' ' MET . 1.4 t80 -85.23 127.18 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD2' ' NE2' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -129.06 128.39 43.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.3 m -149.83 119.25 6.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.725 HD12 ' HB2' ' A' ' 85' ' ' LEU . 3.1 tt -121.12 143.03 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 127.64 45.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -98.19 141.76 23.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 7.7 pt20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.584 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -100.67 150.6 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.71 HG23 ' H ' ' A' ' 82' ' ' GLY . 0.6 OUTLIER -82.55 131.79 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.469 ' CG ' HD11 ' A' ' 72' ' ' ILE . 18.9 t80 -159.46 139.16 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -135.07 115.77 13.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.7 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -121.95 139.62 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.413 HG21 ' CG ' ' A' ' 86' ' ' ASP . 35.6 p -62.29 155.2 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.77 -32.16 69.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -65.17 -42.08 94.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.7 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -66.22 -50.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.47 -46.62 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.1 tp10 -49.36 -33.29 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.806 HG13 HD22 ' A' ' 34' ' ' LEU . 1.4 mm -70.83 -45.23 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -65.41 -34.76 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -76.15 -34.69 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -72.44 -49.41 33.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -18.13 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.57 -10.72 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -120.56 0.76 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.09 43.1 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.659 HG22 ' H ' ' A' ' 31' ' ' ASN . 18.7 mt -99.43 139.62 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.28 4.88 18.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.659 ' H ' HG22 ' A' ' 29' ' ' ILE . 16.4 m-80 -151.71 65.65 6.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.02 123.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 HG13 ' A' ' 71' ' ' VAL . 2.2 mt -98.1 101.02 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD22 HG13 ' A' ' 20' ' ' ILE . 1.7 tp -90.74 114.62 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 2.9 ptm180 -102.05 122.31 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.617 HG23 ' CD2' ' A' ' 48' ' ' TYR . 1.6 mp -89.01 108.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.95 155.0 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.749 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 95.0 t -76.78 156.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 49' ' ' ALA . 95.4 t -129.29 131.63 23.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.749 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 9.7 m-85 -83.34 145.33 29.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' A' ' 39' ' ' VAL . . . -91.53 159.31 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.556 ' HG2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -108.1 146.84 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.67 174.8 47.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -117.88 125.66 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.958 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.92 175.87 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -32.75 18.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -165.92 172.06 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.653 HG22 HG11 ' A' ' 71' ' ' VAL . 1.4 t -80.65 155.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' CD ' ' OD2' ' A' ' 60' ' ' ASP . 18.7 mt-10 -85.39 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.9 28.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -116.86 166.66 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.761 ' CE1' ' CD1' ' A' ' 63' ' ' PHE . 21.4 t60 -78.46 116.85 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 62' ' ' VAL . 1.2 t -94.96 98.97 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.761 ' CD1' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -116.9 110.34 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.76 124.46 27.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CD1' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -109.25 -167.2 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.13 70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.29 29.81 52.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 69' ' ' LYS . 65.8 t -148.64 160.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 68' ' ' VAL . 2.3 ttmt -124.52 156.76 36.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' CG2' HD23 ' A' ' 34' ' ' LEU . 2.9 t -140.03 156.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG11 HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -146.34 111.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.7 mt -95.49 161.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 77' ' ' MET . 62.9 m-20 -78.11 149.25 76.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -22.89 14.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.537 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -94.96 -24.88 16.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 38' ' ' VAL . 1.3 m -91.4 -26.69 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.589 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 8.9 mmm -58.18 -45.5 99.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.06 2.79 6.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 -20.64 16.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 80' ' ' VAL . 2.5 m -141.76 43.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 3.9 p30 -47.85 137.37 9.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 36.99 32.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.76 -179.02 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -131.22 110.03 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.619 HD13 HD11 ' A' ' 98' ' ' ILE . 1.1 tp -95.23 106.21 18.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 97' ' ' THR . 6.9 t0 -98.7 102.24 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 18.4 t80 -85.8 125.32 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 5.9 m-85 -128.07 116.76 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -137.82 127.19 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.619 HD11 HD13 ' A' ' 85' ' ' LEU . 48.9 mm -116.31 123.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 99.65 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -69.64 154.74 94.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.687 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . 4.9 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.653 ' O ' ' CE1' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -73.23 160.03 32.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mm -81.84 114.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 83' ' ' ALA . 35.6 t80 -157.03 131.75 8.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.56 124.38 41.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.856 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -105.01 137.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 p -55.2 147.89 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.428 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -32.89 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.64 94.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.64 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -48.89 69.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.856 HG23 ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -65.66 -53.01 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' HG12 ' A' ' 17' ' ' VAL . 31.6 tt0 -52.98 -32.66 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.781 ' OE2' HG23 ' A' ' 23' ' ' VAL . 8.0 tp10 -64.33 -36.09 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.695 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.8 mm -67.66 -33.09 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -70.54 -40.42 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -51.08 43.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.781 HG23 ' OE2' ' A' ' 19' ' ' GLU . 2.6 t -52.84 -40.96 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -71.87 -39.95 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -20.16 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.235 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.82 -18.66 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -108.22 13.22 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 55.3 32.32 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -99.41 148.44 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -127.94 7.5 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.45 66.08 6.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.631 ' HB2' HG22 ' A' ' 20' ' ' ILE . 18.2 Cg_endo -75.04 139.58 24.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.442 HG23 HG13 ' A' ' 71' ' ' VAL . 3.5 mt -104.47 112.98 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.998 ' HB3' HG22 ' A' ' 70' ' ' VAL . 54.4 tp -92.92 112.3 24.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -103.31 126.52 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.6 116.06 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.36 154.75 45.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -96.81 120.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG23 ' HD2' ' A' ' 40' ' ' PRO . 7.1 p -143.8 141.39 18.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 39' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HB3' HD12 ' A' ' 98' ' ' ILE . 2.0 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.603 ' H ' HD13 ' A' ' 98' ' ' ILE . 29.4 m-85 -78.8 118.48 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -80.84 159.06 25.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.895 ' HG2' HD11 ' A' ' 34' ' ' LEU . 7.5 mtp -107.11 174.92 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.86 -171.86 40.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.34 127.79 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.04 174.96 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -136.22 65.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -179.66 168.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' N ' HG23 ' A' ' 55' ' ' THR . 1.2 t -134.5 155.93 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.48 170.52 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.85 24.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.25 66.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' VAL . 3.5 t0 -123.26 145.08 48.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.74 ' ND1' HD12 ' A' ' 72' ' ' ILE . 3.7 t-160 -65.8 74.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.4 p -75.43 107.73 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.94 144.2 44.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -87.73 140.28 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' GLY . 9.2 m-85 -128.64 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -66.48 70.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 69.39 39.39 80.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -150.22 152.04 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.06 143.05 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.998 HG22 ' HB3' ' A' ' 34' ' ' LEU . 5.8 t -138.23 154.96 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.442 HG13 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -144.54 150.71 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.74 HD12 ' ND1' ' A' ' 61' ' ' HIS . 11.0 mt -144.21 145.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.75 164.31 51.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.43 14.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -80.99 -14.31 58.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.643 ' O ' HG22 ' A' ' 80' ' ' VAL . 20.4 m -88.85 -19.66 25.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.592 ' HG2' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.36 -51.2 83.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.04 3.33 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE2' HG11 ' A' ' 38' ' ' VAL . 2.1 m-85 -113.16 -27.83 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 76' ' ' SER . 6.4 m -131.77 46.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 9.5 p-10 -61.02 101.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.18 11.27 31.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.535 ' O ' ' CD1' ' A' ' 10' ' ' PHE . . . -75.59 155.11 36.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -113.2 144.33 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD21 ' SD ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -104.29 107.72 18.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -96.51 99.05 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 53.3 t80 -85.22 115.54 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 96' ' ' PHE . 26.9 p90 -72.87 117.65 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -124.47 148.03 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 84' ' ' GLU . 4.8 mp -139.09 145.94 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -122.88 152.04 41.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -132.48 128.16 20.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -72.32 156.23 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -85.54 138.78 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 7.9 t80 -158.94 146.34 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -133.53 116.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.647 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -130.41 132.45 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.4 168.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -27.2 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.4 79.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.647 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -59.65 -50.33 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -60.81 -44.48 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.72 -41.91 87.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.0 tp10 -53.43 -28.01 27.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.78 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.1 mm -79.71 -36.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -53.65 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.6 -37.64 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 19' ' ' GLU . 14.5 t -67.58 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -52.77 -50.86 62.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -38.1 15.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.27 -22.37 41.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' OD1' HG12 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -95.99 -0.57 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 61.13 27.77 17.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.689 HG22 ' H ' ' A' ' 31' ' ' ASN . 66.4 mt -100.77 144.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.33 4.38 15.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.689 ' H ' HG22 ' A' ' 29' ' ' ILE . 6.9 t-20 -145.37 69.16 13.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.729 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.03 125.58 9.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 31' ' ' ASN . 2.4 mp -105.83 95.41 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.711 ' HG ' HG23 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -91.37 114.05 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.619 ' HA ' HG23 ' A' ' 71' ' ' VAL . 10.3 ttm180 -99.89 132.25 45.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.716 HG23 ' CG ' ' A' ' 48' ' ' TYR . 15.2 mm -88.34 117.34 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 39' ' ' VAL . 8.9 ttt180 -126.89 113.53 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 76' ' ' SER . 58.9 t -45.88 132.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 37' ' ' ARG . 78.1 t -125.21 81.5 63.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 47' ' ' GLN . 3.1 pp0? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.832 ' HE1' HD22 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -118.65 144.02 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.541 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -84.88 159.05 20.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.576 ' HB3' HD12 ' A' ' 34' ' ' LEU . 6.6 mtt -103.36 159.18 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.55 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 177.86 137.26 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.78 131.16 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.17 175.13 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.58 -43.81 84.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 t -164.36 -178.66 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -78.88 156.2 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.8 170.62 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 21.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.33 54.67 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -120.11 142.88 48.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 67.3 m-70 -64.84 90.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -75.35 111.54 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 131.65 56.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -82.07 128.37 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 17' ' ' VAL . 1.9 m-85 -123.57 -164.88 1.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.43 72.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 67.73 39.53 90.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.729 HG13 ' HG2' ' A' ' 32' ' ' PRO . 66.6 t -150.0 158.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.24 109.91 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.641 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 60.3 t -102.42 147.46 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.619 HG23 ' HA ' ' A' ' 35' ' ' ARG . 24.4 m -144.63 158.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.028 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 7.5 mt -145.41 140.43 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.97 155.05 56.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.7 17.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.465 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 82.0 m-85 -87.37 -28.81 21.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.881 ' HB3' HG23 ' A' ' 38' ' ' VAL . 88.0 p -89.88 -18.16 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.572 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -55.93 -47.84 97.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.05 4.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.69 ' O ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -104.89 -1.84 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 79' ' ' TYR . 12.5 m -160.07 38.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.6 p-10 -44.42 112.69 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.75 27.16 0.32 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.473 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . . . -75.82 172.31 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 0.797 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' HD13 ' A' ' 98' ' ' ILE . 26.0 tt0 -101.76 130.04 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.832 HD22 ' HE1' ' A' ' 48' ' ' TYR . 1.2 tp -116.69 105.38 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.31 97.56 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -85.82 106.17 16.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 1.5 m-85 -81.11 117.35 21.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 0.775 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 122.96 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -123.01 124.46 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -114.87 108.83 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -110.81 135.34 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.952 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.621 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 26.5 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.642 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 79.5 m-85 -74.36 161.07 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.29 110.75 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -159.39 135.04 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -137.37 115.14 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG12 ' OH ' ' A' ' 65' ' ' TYR . 3.3 p -102.94 147.46 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.475 HG21 ' HB3' ' A' ' 86' ' ' ASP . 47.6 p -58.47 154.16 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.41 -25.06 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -65.43 -43.35 90.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 20' ' ' ILE . . . -58.53 -59.53 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -56.4 -41.89 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.04 -36.34 81.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 6.3 tp10 -59.98 -55.8 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 16' ' ' ALA . 5.0 mp -62.28 -31.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -60.87 -49.6 76.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.28 -45.47 39.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.553 ' CG1' ' CE2' ' A' ' 52' ' ' PHE . 2.4 t -53.86 -54.8 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -57.12 -37.08 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -2.02 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -111.4 4.61 19.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.31 29.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 74.9 mt -99.43 146.08 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.2 5.56 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -151.85 66.36 6.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 163.16 35.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.684 HG23 HG13 ' A' ' 71' ' ' VAL . 58.9 mt -138.17 133.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.666 ' CD1' HG21 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -90.69 118.51 30.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.537 ' N ' ' HE1' ' A' ' 50' ' ' MET . 8.1 tmm_? -114.01 114.31 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.7 mp -87.92 116.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.52 149.89 49.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' CE2' ' A' ' 48' ' ' TYR . 6.8 t -101.38 110.84 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.52 136.87 22.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.445 1.76 . . . . 0.0 110.994 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.78 ' CE2' HG22 ' A' ' 38' ' ' VAL . 49.3 m-85 -106.45 115.11 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.72 159.16 25.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -94.22 172.07 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.17 95.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 32.8 p90 -68.08 108.47 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -110.98 174.18 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -126.5 57.69 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -165.8 179.02 6.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -139.36 153.44 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -93.34 170.94 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.05 18.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.52 41.58 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -96.73 141.14 30.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.679 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -75.9 107.1 7.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.677 HG22 ' HD3' ' A' ' 69' ' ' LYS . 1.1 t -76.45 100.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.25 111.54 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.57 125.17 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.61 ' OH ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -111.59 -156.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -66.49 69.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 86.81 -29.17 5.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 t -94.95 156.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.677 ' HD3' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -113.08 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.492 HG22 HD22 ' A' ' 34' ' ' LEU . 55.7 t -124.19 155.68 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.684 HG13 HG23 ' A' ' 33' ' ' ILE . 1.2 m -145.05 151.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.612 HG13 ' C ' ' A' ' 71' ' ' VAL . 2.1 mt -139.15 163.41 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.32 161.48 42.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.96 16.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.426 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 2.5 t80 -94.21 -9.57 35.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.874 ' O ' HG22 ' A' ' 80' ' ' VAL . 9.8 t -88.92 -19.54 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -56.91 -50.98 85.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.08 0.68 8.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CE2' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -116.04 -11.98 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.874 HG22 ' O ' ' A' ' 76' ' ' SER . 7.7 m -145.96 41.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -86.79 121.49 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 58.89 12.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.58 152.87 27.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -120.13 108.6 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.475 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -95.39 103.48 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 50' ' ' MET . 8.6 t80 -85.72 123.31 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -124.29 128.97 49.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.975 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -140.36 143.7 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.5 mm -120.22 134.86 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.23 143.61 46.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -122.06 149.64 54.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.519 0.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 171.56 171.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.52 144.57 51.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 80.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.0 130.28 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.38 126.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.94 99.76 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.749 ' CD2' HD13 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -78.23 130.23 36.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 13.5 mm -73.92 110.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 2.5 t80 -156.93 149.66 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.0 mmtt -135.4 110.81 9.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -113.28 142.67 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.507 HG21 ' CG ' ' A' ' 86' ' ' ASP . 49.9 p -61.82 178.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -25.54 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -65.74 -49.05 69.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -52.79 -57.7 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 ' HD2' ' A' ' 65' ' ' TYR . 2.2 t -54.94 -43.55 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.58 -33.37 72.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.578 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 2.7 tp10 -66.55 -38.05 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.972 HG13 HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -74.05 -42.0 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -64.07 -40.28 95.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -69.54 -51.12 38.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.22 -47.53 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.752 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -67.95 -42.5 80.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -56.4 -33.7 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.52 -8.41 59.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 35.8 m-80 -108.36 -10.63 15.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 10.9 t30 78.44 28.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.743 HG22 ' H ' ' A' ' 31' ' ' ASN . 32.5 mt -99.45 146.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.11 9.45 11.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -150.71 66.82 7.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.752 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.02 130.07 12.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.25 115.41 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.972 HD22 HG13 ' A' ' 20' ' ' ILE . 15.4 tp -91.91 115.58 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -106.29 144.9 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.716 HD12 ' CE1' ' A' ' 48' ' ' TYR . 9.8 mm -103.07 131.33 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -148.09 118.49 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.53 129.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 37' ' ' ARG . 72.3 t -126.43 136.17 28.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -75.06 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.98 -111.04 1.04 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.31 -141.66 6.94 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.3 p -58.55 -32.65 69.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.23 141.39 3.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.72 52.15 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -94.92 134.42 37.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 36' ' ' ILE . 8.9 p90 -78.22 138.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.71 159.36 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.821 ' HB3' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -107.63 173.39 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.38 172.36 43.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -109.42 120.92 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.01 175.89 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.82 -45.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 t -71.0 -178.98 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.89 155.58 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 170.18 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.08 47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.49 72.72 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 143.44 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.403 ' ND1' ' SD ' ' A' ' 77' ' ' MET . 5.0 m-70 -64.97 88.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.686 HG23 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -78.52 113.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 2.7 t80 -116.17 118.82 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -67.94 136.24 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.683 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.0 m-85 -112.43 -167.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.53 70.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.71 36.37 43.03 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 48.1 t -153.33 154.71 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -96.75 147.1 24.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 34' ' ' LEU . 98.5 t -145.92 152.22 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.686 HG12 HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -144.69 158.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.749 HD13 ' CD2' ' A' ' 8' ' ' PHE . 5.3 mp -143.86 130.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.13 166.4 2.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.11 14.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.445 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.2 m-85 -87.79 -30.82 19.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.0 p -89.17 -18.24 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.639 ' CE ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.94 -49.36 93.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.02 1.94 7.2 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.23 4.3 33.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.513 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 32.7 m -151.85 33.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.27 104.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.17 16.3 13.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.47 173.8 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 1.8 tt0 -124.88 133.32 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.674 HD21 ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -117.07 108.74 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.507 ' CG ' HG21 ' A' ' 13' ' ' THR . 6.9 t0 -97.41 102.28 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 1.5 t80 -85.28 123.71 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.7 t -83.8 157.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.01 120.32 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' PHE . 60.0 m-20 -165.33 177.76 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.2 t80 35.06 -140.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.93 27.37 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.25 -100.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.35 -144.27 8.87 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -138.55 -178.08 15.92 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.6 113.33 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -130.92 136.14 48.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.596 HD12 ' CE2' ' A' ' 48' ' ' TYR . 4.3 tt -135.18 136.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.53 138.69 54.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -123.85 122.87 26.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.491 0.186 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.31 178.88 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -145.35 147.1 31.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -124.9 129.72 50.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.01 123.12 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.529 ' CA ' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -133.07 41.42 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.04 105.82 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.2 p90 -95.91 141.79 28.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.51 109.51 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 26.2 t80 -160.59 151.21 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -127.56 128.12 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.58 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -124.3 140.88 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -63.58 155.06 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 2.7 m-20 -61.71 -23.14 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HD2' HG22 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -64.52 -39.48 93.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB3' HG22 ' A' ' 12' ' ' VAL . . . -71.9 -50.94 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -61.57 -58.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -54.81 -24.17 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 20.4 tp10 -75.16 -17.87 60.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.561 HG23 ' CE2' ' A' ' 52' ' ' PHE . 4.1 mm -79.31 -55.3 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.37 -22.36 42.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -50.73 30.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.815 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -69.83 -24.48 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.26 -51.05 14.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -15.92 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 0.52 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -138.13 15.58 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 53.17 43.21 31.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 31' ' ' ASN . 71.0 mt -99.1 140.44 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -120.15 5.74 10.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.43 ' H ' HG22 ' A' ' 29' ' ' ILE . 40.2 t-20 -151.35 66.04 6.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.99 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.0 mt -92.68 96.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD11 ' CG ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -92.03 118.86 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -108.54 139.84 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 48' ' ' TYR . 2.0 mp -96.34 108.8 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -121.87 152.5 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG22 ' OH ' ' A' ' 48' ' ' TYR . 5.1 t -70.32 157.73 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -150.79 108.96 3.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 69.7 5.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -58.04 2.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.29 158.14 23.49 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.09 -49.06 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -46.91 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.12 -98.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER 57.26 106.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 0.787 . . . . 0.0 111.061 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -134.64 152.71 51.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' OH ' HG22 ' A' ' 38' ' ' VAL . 32.1 m-85 -83.08 112.96 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . . . -80.56 159.3 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.641 ' CG ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.9 174.86 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.14 140.53 3.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.815 ' CE1' HG11 ' A' ' 23' ' ' VAL . 4.3 m-85 -112.02 113.62 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.08 175.3 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -129.54 62.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 56' ' ' VAL . 1.2 t -178.36 172.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.416 ' N ' ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -134.95 155.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -89.26 170.78 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.49 29.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.1 60.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.64 126.47 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' HA ' ' CA ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER -66.66 101.39 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.779 HG23 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -89.83 123.46 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -115.87 123.75 48.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.44 127.8 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.585 ' CD1' HG21 ' A' ' 17' ' ' VAL . 2.5 m-85 -113.75 -165.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.15 71.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.25 35.71 60.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 32' ' ' PRO . 78.9 t -150.49 151.96 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -108.04 145.43 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 34' ' ' LEU . 5.5 t -143.88 153.26 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.779 HG12 HG23 ' A' ' 62' ' ' VAL . 1.8 m -144.78 162.07 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG13 ' CE2' ' A' ' 8' ' ' PHE . 5.4 mt -144.98 125.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -47.27 158.72 0.45 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.09 13.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 4.0 m-85 -89.37 -26.66 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 -19.74 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.496 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.63 -50.7 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.01 1.06 8.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -27.45 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.76 31.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.81 114.16 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.94 -34.66 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.2 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.63 137.12 39.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -110.11 109.55 20.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.498 ' OD2' HG22 ' A' ' 97' ' ' THR . 0.5 OUTLIER -96.34 129.36 43.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 49.2 t80 -85.1 124.92 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.614 HG23 ' HB ' ' A' ' 97' ' ' THR . 77.7 t -71.67 152.78 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.639 HG22 ' HD2' ' A' ' 15' ' ' LYS . 12.6 t -127.19 119.24 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' PHE . 64.0 m-20 -165.08 -174.28 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.25 -140.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.38 25.57 3.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.18 -102.99 0.16 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.19 -146.57 9.99 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -161.5 -161.9 12.31 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -119.1 129.98 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.614 ' HB ' HG23 ' A' ' 88' ' ' VAL . 1.2 m -143.2 156.7 44.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.13 141.87 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.77 97.31 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -85.83 119.01 71.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.485 0.183 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.67 90.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -73.45 136.85 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -102.41 104.73 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.88 119.99 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -131.61 52.7 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -121.69 100.83 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.895 ' CG ' HD12 ' A' ' 72' ' ' ILE . 2.6 t80 -102.36 128.63 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.29 110.13 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 38.1 t80 -159.04 146.8 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -125.09 112.73 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -110.67 141.18 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.565 HG21 ' CG ' ' A' ' 86' ' ' ASP . 2.2 p -58.55 170.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -27.34 55.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.06 -45.97 83.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -57.22 -59.6 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.736 HG22 ' HD2' ' A' ' 65' ' ' TYR . 1.7 t -55.33 -44.06 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.29 -23.22 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 6.5 tp10 -82.51 -31.3 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.637 HD13 ' N ' ' A' ' 20' ' ' ILE . 2.9 mm -70.38 -51.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -22.64 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -74.85 -51.15 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.608 HG11 ' CD1' ' A' ' 52' ' ' PHE . 1.6 t -61.74 -38.83 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.864 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -66.37 -51.06 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.99 -26.74 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.46 -12.58 59.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -116.06 9.75 14.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.76 20.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.605 HG22 ' H ' ' A' ' 31' ' ' ASN . 64.5 mt -98.75 136.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.48 10.18 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.605 ' H ' HG22 ' A' ' 29' ' ' ILE . 16.6 t-20 -149.73 66.79 8.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.864 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.99 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.611 HG23 HG13 ' A' ' 71' ' ' VAL . 4.6 mt -92.7 106.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.708 HD12 ' H ' ' A' ' 51' ' ' GLY . 1.3 tp -91.77 128.17 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -110.92 126.79 55.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.548 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.4 mp -89.29 109.07 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 144.8 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 48' ' ' TYR . 2.9 t -73.35 154.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -130.3 92.4 35.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 81.95 2.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.52 130.15 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.93 158.92 28.47 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -50.94 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -106.03 -40.75 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.956 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.0 133.21 52.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -169.3 99.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -136.26 156.49 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 31.3 m-85 -91.47 122.54 34.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.15 159.17 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.65 ' HG2' HD11 ' A' ' 34' ' ' LEU . 9.6 mtt -109.9 174.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.708 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -176.41 -170.93 39.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD1' HG11 ' A' ' 23' ' ' VAL . 1.2 p90 -138.5 126.67 22.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.89 172.68 9.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' HA ' HD12 ' A' ' 33' ' ' ILE . 21.2 m-20 -125.67 -45.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -67.68 179.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.33 155.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 170.86 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -83.3 40.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.72 66.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -108.21 142.0 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.01 81.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -76.74 114.62 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -117.35 120.46 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.96 134.06 53.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 70' ' ' VAL . 1.9 m-30 -113.76 -167.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.62 70.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . . . 74.59 36.33 49.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 38.8 t -152.87 161.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 0.8 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 2.5 mttt -102.56 147.95 26.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 65' ' ' TYR . 46.9 t -146.24 158.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.611 HG13 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -146.56 154.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.895 HD12 ' CG ' ' A' ' 8' ' ' PHE . 4.6 mt -144.57 115.17 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 161.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.2 13.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 14.9 m-85 -80.72 -19.81 44.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -87.87 -18.49 29.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.08 -52.98 70.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -43.79 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.639 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 22.6 m -122.74 49.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 5.5 p-10 -79.54 100.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.94 -24.39 11.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.46 176.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 9.1 pt-20 -132.35 156.29 46.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -135.64 107.75 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.565 ' CG ' HG21 ' A' ' 13' ' ' THR . 24.7 t0 -97.08 123.72 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 3.8 t80 -85.42 138.27 32.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.541 HG12 ' OD1' ' A' ' 90' ' ' ASP . 71.9 t -93.98 143.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 17.7 t -128.44 110.7 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.541 ' OD1' HG12 ' A' ' 88' ' ' VAL . 1.5 m-20 -166.57 -149.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.0 -14.63 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.48 2.47 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 57.71 26.92 58.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.29 93.41 2.06 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -100.84 -166.93 28.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -128.57 147.81 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 2.1 m -153.52 144.36 22.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 85' ' ' LEU . 15.2 mm -109.17 139.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 2.2 mtt180 -127.27 96.95 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.88 117.38 24.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.19 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -134.53 85.49 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.39 133.12 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.35 79.99 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.54 121.89 22.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HG2' ' CD2' ' A' ' 61' ' ' HIS . 15.1 tt0 -177.69 130.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 8.3 tt0 -121.41 105.34 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.804 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -74.6 159.41 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.12 110.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -159.49 137.37 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 84' ' ' GLU . 49.0 mmtt -135.99 118.92 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.824 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.02 134.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.85 HG21 ' CG ' ' A' ' 86' ' ' ASP . 43.6 p -55.28 155.81 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -62.94 -24.69 67.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -63.69 -41.62 98.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 19' ' ' GLU . . . -72.08 -51.15 22.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.824 HG23 ' CG1' ' A' ' 12' ' ' VAL . 1.4 t -60.2 -45.95 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -73.86 -5.62 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.4 tp10 -90.2 -17.54 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.895 ' CG2' HD11 ' A' ' 34' ' ' LEU . 1.5 mm -88.06 -31.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -60.0 -36.96 78.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -75.02 -28.65 60.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 1.4 t -77.57 -38.66 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -40.44 55.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -51.72 -44.88 63.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -15.74 63.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.52 8.82 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.99 25.02 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -99.47 136.77 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.75 8.51 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -151.18 75.08 8.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.3 38.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.43 HG23 HG13 ' A' ' 71' ' ' VAL . 7.7 mt -130.59 112.69 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.895 HD11 ' CG2' ' A' ' 20' ' ' ILE . 2.1 mm? -88.95 110.74 21.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -99.02 122.59 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.504 ' CG2' HG23 ' A' ' 72' ' ' ILE . 1.1 mp -88.1 128.17 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -150.89 123.95 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.579 HG22 ' HE1' ' A' ' 48' ' ' TYR . 3.9 t -60.07 120.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.2 p -96.49 117.01 66.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 72.09 4.75 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.63 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 115.31 0.95 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.82 -10.03 59.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -106.98 -42.86 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.82 113.14 2.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -157.26 136.74 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -135.04 163.72 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.78 ' CZ ' HG12 ' A' ' 80' ' ' VAL . 92.4 m-85 -88.44 102.81 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -82.56 138.75 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 34' ' ' LEU . 4.7 ptt? -121.9 165.75 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.54 161.83 27.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 33.6 p90 -69.67 115.22 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' OD2' HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -86.14 174.61 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.28 -41.95 84.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -164.63 -178.32 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.502 ' N ' HG23 ' A' ' 55' ' ' THR . 0.3 OUTLIER -83.7 155.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.05 169.87 12.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 20.94 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.23 47.45 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.51 125.81 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.804 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 3.5 m80 -64.91 101.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.46 119.78 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -115.47 113.34 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.05 132.87 45.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -120.29 -162.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.96 70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.98 17.25 80.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.99 159.45 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -109.99 146.52 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 65' ' ' TYR . 10.0 t -136.83 148.8 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 56' ' ' VAL . 5.3 m -144.25 159.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.504 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.8 mt -143.71 132.82 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.53 158.5 14.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.75 13.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.6 m-85 -94.47 -27.2 16.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.3 m -89.61 -20.51 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.554 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 mmm -58.56 -49.6 92.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.97 2.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -19.8 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.78 HG12 ' CZ ' ' A' ' 48' ' ' TYR . 3.0 m -126.1 2.32 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' MET . 21.5 t-20 -53.41 153.16 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 40.01 50.08 3.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.147 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -153.99 154.91 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 1.4 mt-10 -109.43 160.01 16.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.659 ' HB2' HD12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -132.54 108.87 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.85 ' CG ' HG21 ' A' ' 13' ' ' THR . 3.0 t0 -95.25 122.04 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 75.8 t80 -85.04 128.05 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.505 ' CG1' ' OD1' ' A' ' 90' ' ' ASP . 16.1 t -72.51 154.7 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.95 120.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' OD1' ' CG1' ' A' ' 88' ' ' VAL . 5.7 m-20 -165.58 170.87 13.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.35 -139.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.83 25.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.28 101.41 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.62 -165.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -113.56 -154.7 11.44 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.2 m-85 -125.1 137.62 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.4 m -137.45 136.04 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.659 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -120.92 140.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -123.22 103.83 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -90.39 148.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.522 0.201 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -135.81 132.6 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.96 156.82 18.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.46 79.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.78 125.4 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.15 118.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -115.28 98.59 6.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE1' ' ND1' ' A' ' 61' ' ' HIS . 37.6 m-85 -81.46 160.86 23.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -86.21 117.28 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.613 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 2.5 t80 -159.68 113.12 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 1.7 mtmt -105.29 131.63 52.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -126.32 130.18 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.618 HG21 ' CG ' ' A' ' 86' ' ' ASP . 61.8 p -53.21 149.12 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.49 -26.33 42.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' HG2' HG21 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -64.22 -40.56 96.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -64.41 -58.05 7.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.651 HG21 ' CD1' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -55.71 -51.31 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -51.75 -40.17 59.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 8.7 tp10 -58.95 -24.94 63.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.856 HG13 HD22 ' A' ' 34' ' ' LEU . 1.4 mm -84.26 -41.48 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -66.75 -42.54 86.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.6 75.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.74 -59.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.729 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -57.88 -35.24 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.98 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -86.36 -3.92 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -121.18 16.7 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 51.13 30.7 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.513 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 73.6 mt -91.69 140.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.26 7.81 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.3 66.16 6.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.729 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 131.08 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 54' ' ' ASP . 13.3 mt -102.2 104.43 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.856 HD22 HG13 ' A' ' 20' ' ' ILE . 40.4 tp -92.39 122.46 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 22.5 ptt85 -115.12 128.28 56.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.38 109.94 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 157.66 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.697 HG22 ' HE2' ' A' ' 48' ' ' TYR . 46.4 t -83.87 118.7 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 39' ' ' VAL . 27.6 m -135.56 88.53 24.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.92 4.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.29 -65.9 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.19 136.0 24.71 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.0 t -54.69 -48.08 72.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.44 14.54 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.61 51.12 0.87 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 48.7 p90 -84.94 111.18 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' PHE . 21.2 mp0 -147.04 174.26 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.697 ' HE2' HG22 ' A' ' 38' ' ' VAL . 20.4 m-85 -89.17 119.58 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 159.25 19.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.637 ' HE1' HD11 ' A' ' 20' ' ' ILE . 10.5 mtt -98.63 175.28 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.44 168.71 40.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -131.81 98.13 4.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' HB3' HG22 ' A' ' 55' ' ' THR . 1.1 m-20 -130.88 125.98 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.723 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -65.44 -46.34 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 53' ' ' ASP . 15.3 t -42.61 160.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.48 155.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.57 170.7 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.67 24.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.47 53.59 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' HB ' ' A' ' 71' ' ' VAL . 1.1 m-20 -97.41 143.48 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.63 ' ND1' ' CE1' ' A' ' 8' ' ' PHE . 7.9 m-70 -74.07 102.55 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -76.11 115.08 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 72' ' ' ILE . 3.2 m-85 -116.08 112.84 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.37 128.04 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.651 ' CD1' HG21 ' A' ' 17' ' ' VAL . 2.7 m-85 -122.57 -166.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.15 70.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.42 35.8 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 32' ' ' PRO . 47.2 t -145.63 145.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 146.08 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.675 HG22 ' HB3' ' A' ' 34' ' ' LEU . 2.6 t -132.69 158.28 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.2 m -144.87 110.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.666 HD12 ' CE1' ' A' ' 63' ' ' PHE . 4.1 mt -94.72 171.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.545 ' H ' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -101.91 160.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.19 15.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.448 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 6.1 m-85 -90.5 -8.51 50.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.763 ' O ' HG22 ' A' ' 80' ' ' VAL . 7.8 t -89.1 -25.8 21.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.498 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -57.42 -51.44 81.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.97 2.28 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.558 1.82 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -23.53 9.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 76' ' ' SER . 11.2 m -138.69 40.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -69.73 105.15 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.18 -4.75 61.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.28 169.78 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 2.2 pt-20 -126.96 139.64 52.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.55 107.43 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.618 ' CG ' HG21 ' A' ' 13' ' ' THR . 18.2 t0 -97.19 104.81 16.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.608 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 12.1 t80 -85.62 132.31 34.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 t -86.1 154.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG21 ' HG2' ' A' ' 15' ' ' LYS . 49.9 t -127.34 123.31 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' PHE . 41.2 m-20 -165.35 -174.15 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.24 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.4 27.61 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.38 -111.38 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.3 -167.0 36.8 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.55 -170.89 12.08 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -120.44 139.61 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 2.6 m -157.56 143.7 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.52 144.99 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 100.8 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -73.3 131.61 82.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.51 0.195 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 175.97 -174.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -72.4 138.12 46.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -103.8 131.06 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.03 129.61 38.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 1.5 pt20 -169.17 124.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -121.16 99.99 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.697 ' CD2' ' CG ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -83.6 159.79 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.14 110.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CD1' HD13 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -159.1 145.06 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 5.2 mppt? -144.05 128.89 18.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.819 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -133.02 128.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.0 p -62.27 166.32 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -31.3 72.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -57.43 -44.41 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.49 37.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.819 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.9 t -55.69 -48.32 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.8 tm-20 -59.18 -45.06 92.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 3.6 tm-20 -46.0 -34.89 4.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.832 ' CG2' HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -79.59 -35.87 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.6 mmtp -56.66 -34.46 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -74.99 -42.22 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.97 -40.28 88.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -75.41 -41.03 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -45.56 74.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.37 -19.84 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.87 4.18 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 t30 60.55 32.64 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.451 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 85.3 mt -94.57 136.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -114.26 5.08 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -151.47 72.4 8.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.06 122.46 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 mt -103.52 96.28 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.832 HD11 ' CG2' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.7 137.27 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 33.4 ttp180 -108.11 152.6 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 48' ' ' TYR . 6.0 mm -88.75 128.63 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 120.84 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.664 HG21 ' CG ' ' A' ' 79' ' ' TYR . 82.1 t -76.84 125.4 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -100.38 136.35 20.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.25 2.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.91 -57.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.78 102.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.6 p -73.45 -24.84 60.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -111.39 -32.11 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.5 106.74 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -68.21 102.54 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 115.91 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.905 ' CD2' HG11 ' A' ' 80' ' ' VAL . 51.9 p90 -81.2 115.96 20.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . . . -80.75 159.2 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.15 175.12 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.43 126.22 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 7.0 p90 -68.98 122.56 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -100.13 175.0 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -44.87 83.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 t -165.3 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.082 HG23 HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -81.25 155.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' NH1' ' A' ' 35' ' ' ARG . 18.8 mt-10 -79.26 170.98 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -85.33 23.73 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.4 55.22 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -123.24 136.01 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.697 ' CG ' ' CD2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -65.13 97.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.69 115.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 8.4 t80 -116.32 120.49 39.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.5 126.58 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.755 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 4.3 m-85 -101.21 -168.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' HB3' HG11 ' A' ' 17' ' ' VAL . 2.4 t70 -67.38 70.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.9 34.08 35.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 67' ' ' GLY . 60.5 t -153.34 159.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -100.9 154.86 18.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.755 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 22.2 t -153.38 161.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.082 HG11 HG23 ' A' ' 56' ' ' VAL . 1.2 m -146.81 116.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.69 HD13 ' CD1' ' A' ' 10' ' ' PHE . 4.0 mt -94.42 138.94 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.67 159.03 80.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.48 12.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 7.4 m-85 -89.84 -29.48 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.459 ' OG ' HG23 ' A' ' 38' ' ' VAL . 23.2 t -88.32 -19.42 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.603 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.43 -52.13 76.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.0 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.664 ' CG ' HG21 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -97.97 -28.96 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.905 HG11 ' CD2' ' A' ' 48' ' ' TYR . 17.7 m -135.77 37.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -76.24 148.21 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.05 49.35 13.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.54 150.91 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.747 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 pt-20 -102.72 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 48' ' ' TYR . 1.3 tp -121.41 106.29 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.97 131.09 45.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 4.2 t80 -85.91 130.44 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' HB ' ' A' ' 97' ' ' THR . 52.6 t -100.52 146.66 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.37 111.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.66 -149.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.36 -15.27 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.67 15.92 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLY . . . 40.88 84.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . 36.49 88.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -109.49 -171.38 20.53 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 49' ' ' ALA . 20.7 m-85 -112.49 145.66 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.609 ' HB ' HG23 ' A' ' 88' ' ' VAL . 3.1 m -145.62 143.64 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.484 HD11 ' CE2' ' A' ' 48' ' ' TYR . 49.3 mm -100.3 137.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.8 103.39 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.94 129.81 74.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.518 0.199 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 76.57 65.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.83 147.1 48.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 tm0? -122.05 146.81 46.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.3 100.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.494 ' HG3' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -128.25 40.53 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -123.11 106.4 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.5 p90 -100.84 138.88 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mm -86.97 109.79 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 27.7 t80 -160.5 137.34 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 23.4 mmtt -105.53 129.73 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -125.02 137.31 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 86' ' ' ASP . 6.6 p -57.94 170.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.37 -30.04 61.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -36.98 85.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.558 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -63.23 -55.17 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -57.71 -46.06 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.76 -31.33 72.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 3.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.69 HG23 ' HG ' ' A' ' 34' ' ' LEU . 2.2 mm -74.27 -33.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.31 -31.03 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -51.1 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.36 -30.78 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.96 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.0 -11.32 59.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.04 7.97 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.4 t30 44.55 40.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -99.66 127.11 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.29 7.42 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -151.24 66.18 7.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.96 120.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.97 96.1 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.69 ' HG ' HG23 ' A' ' 20' ' ' ILE . 1.6 mm? -95.34 139.55 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CG ' HG23 ' A' ' 71' ' ' VAL . 2.0 tmm_? -120.6 143.01 48.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 36' ' ' ILE . 18.6 mm -89.23 137.51 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -142.02 165.64 26.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.519 HG22 ' CE1' ' A' ' 48' ' ' TYR . 2.6 t -112.01 109.6 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 33.5 m -101.8 134.09 20.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 82.44 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.79 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.81 149.02 6.39 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.7 m -73.64 -43.17 60.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -45.28 62.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.49 59.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 60.85 100.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -136.27 161.68 35.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 44.5 m-85 -81.7 126.63 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.68 159.04 16.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.498 ' HB2' HD12 ' A' ' 34' ' ' LEU . 17.5 ptp -100.61 173.78 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.449 ' C ' HD13 ' A' ' 34' ' ' LEU . . . -178.16 113.21 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 54.9 p90 -68.9 121.27 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.34 175.23 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -18.29 46.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -171.3 177.44 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.544 HG23 HG11 ' A' ' 71' ' ' VAL . 1.3 p -95.52 154.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.8 170.55 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.96 23.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.58 61.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.51 134.34 49.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.491 ' HA ' ' CA ' ' A' ' 6' ' ' GLN . 98.5 m-70 -64.29 93.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.553 HG23 HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -81.78 134.08 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -116.59 133.62 55.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.29 122.69 33.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.657 ' CD1' HG21 ' A' ' 17' ' ' VAL . 4.7 m-85 -115.83 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.99 72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.31 22.02 79.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.4 155.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HG2' HG22 ' A' ' 62' ' ' VAL . 2.9 tttt -114.58 144.28 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -145.8 155.89 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG12 HG23 ' A' ' 62' ' ' VAL . 1.2 m -144.72 164.97 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.579 HD12 ' CD1' ' A' ' 8' ' ' PHE . 63.6 mt -146.7 117.11 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.3 m-20 -39.18 154.79 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.24 -27.73 21.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.453 ' OG ' HG23 ' A' ' 38' ' ' VAL . 68.0 m -88.77 -18.92 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.502 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.1 -51.14 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.96 1.8 7.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.22 -25.89 14.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.59 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 32.2 m -139.48 38.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 3.5 p30 -78.9 120.64 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.98 -32.58 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 177.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.941 ' O ' HG23 ' A' ' 98' ' ' ILE . 29.8 tt0 -134.29 132.36 39.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -110.34 113.87 26.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.588 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -97.02 100.72 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.591 ' OH ' ' CE2' ' A' ' 96' ' ' PHE . 6.0 t80 -85.53 122.57 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.3 t -98.57 147.28 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 t -128.6 111.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -165.5 -151.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.12 -14.88 4.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.52 2.6 21.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.66 14.23 28.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.538 ' O ' ' CE1' ' A' ' 96' ' ' PHE . . . 125.97 80.46 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -69.38 115.7 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.591 ' CE2' ' OH ' ' A' ' 87' ' ' TYR . 25.0 m-85 -92.45 114.59 27.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 86' ' ' ASP . 7.4 t -145.78 138.27 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.941 HG23 ' O ' ' A' ' 84' ' ' GLU . 4.4 mp -120.86 138.0 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.51 104.47 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -53.07 153.85 5.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.53 0.205 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -114.06 -173.96 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.23 156.84 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -69.08 97.76 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.2 165.09 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 0.6 OUTLIER -175.97 117.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 6.4 tt0 -121.51 99.47 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 4.8 m-30 -87.65 160.93 17.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -83.23 112.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -157.21 149.4 22.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -137.35 146.2 44.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.774 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -129.72 134.56 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 13' ' ' THR . 49.5 p -54.27 154.53 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -39.58 75.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -61.42 -43.7 98.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.576 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -60.53 -46.83 88.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.847 HG22 ' CD2' ' A' ' 65' ' ' TYR . 1.2 t -66.8 -56.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -57.37 -24.62 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' C ' HD13 ' A' ' 20' ' ' ILE . 17.2 tp10 -67.88 -18.59 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.729 HG23 HD23 ' A' ' 34' ' ' LEU . 2.1 mm -85.5 -40.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 39.0 mtmt -62.37 -42.52 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -60.96 -26.56 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 52' ' ' PHE . 2.3 t -90.17 -33.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.24 -48.16 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -60.79 -24.77 66.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -16.62 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -112.93 4.79 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 59.16 36.59 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.85 132.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.22 8.57 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -151.32 66.7 7.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.95 142.33 27.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.474 HG23 HG13 ' A' ' 71' ' ' VAL . 7.2 mt -124.66 100.42 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.729 HD23 HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -92.39 131.87 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HA ' HG22 ' A' ' 71' ' ' VAL . 3.6 ptt180 -110.1 146.54 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.662 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.5 mp -103.25 109.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.83 157.3 37.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.633 HG22 ' CE2' ' A' ' 48' ' ' TYR . 1.5 t -94.19 137.89 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.3 p -162.9 107.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.19 -48.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -61.79 0.43 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -42.31 25.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -76.52 -42.86 41.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.13 180.0 16.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 13.0 t80 -84.84 104.61 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.75 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -145.84 161.74 39.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 7.2 m-85 -98.77 125.02 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.527 ' CE ' HD11 ' A' ' 20' ' ' ILE . 12.6 mtt -91.01 174.62 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.3 129.24 1.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.448 ' CD2' HG11 ' A' ' 23' ' ' VAL . 7.5 p90 -108.08 108.48 19.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -107.5 175.12 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 55' ' ' THR . 57.4 m-20 -128.06 59.98 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 8.2 t -176.2 150.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.05 155.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.74 170.6 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -82.05 42.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.26 72.48 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -120.79 141.71 50.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 0.716 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.838 ' CD2' HD12 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -65.38 94.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.589 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.26 108.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.662 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -116.66 120.99 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.31 125.05 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.968 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.8 m-30 -105.5 -168.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.92 70.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 77.18 34.72 40.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 32' ' ' PRO . 41.7 t -151.92 157.02 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 149.23 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.968 HG21 ' CE2' ' A' ' 65' ' ' TYR . 2.4 t -138.46 161.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.4 m -145.44 160.22 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 61' ' ' HIS . 3.1 mt -149.2 165.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.07 158.62 33.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.59 13.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.484 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -90.14 -14.39 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 1.029 ' O ' HG22 ' A' ' 80' ' ' VAL . 74.9 m -89.55 -20.45 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.8 -48.97 96.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.96 1.69 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.475 ' CE1' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -114.22 -5.61 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.029 HG22 ' O ' ' A' ' 76' ' ' SER . 31.1 m -143.07 34.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 2.3 p30 -54.26 122.18 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.74 28.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . . . -76.06 178.52 6.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -141.25 106.25 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 97' ' ' THR . 1.8 tp -73.1 107.3 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' A' ' 97' ' ' THR . 0.7 OUTLIER -97.35 139.01 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 4.7 t80 -85.93 122.79 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.1 t -124.9 161.5 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 44.0 t -117.74 128.21 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.452 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 48.0 m-20 -164.82 -161.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t80 36.69 -140.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -77.08 -10.24 59.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 90' ' ' ASP . . . -161.09 -98.17 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.59 -176.44 16.23 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . 128.29 -0.82 6.54 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.7 p90 -129.77 107.05 9.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.842 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.12 152.62 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.413 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 85' ' ' LEU . 4.6 tp -129.9 124.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.81 97.16 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.78 154.89 61.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.36 175.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.61 128.54 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 6' ' ' GLN . 1.3 tp60 -88.93 88.24 7.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.5 87.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -104.63 52.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.563 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 33.1 tt0 -117.26 98.24 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 2.9 m-30 -106.06 159.98 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.15 113.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -159.06 129.99 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -134.58 126.15 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.773 HG22 ' CB ' ' A' ' 16' ' ' ALA . 3.3 p -105.41 149.4 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 p -63.73 143.91 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -33.3 20.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . 4.8 tptt -64.88 -43.91 91.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.773 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -54.79 -45.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 65' ' ' TYR . 1.6 t -73.75 -48.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.06 -23.19 61.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.737 ' OE1' HG22 ' A' ' 89' ' ' VAL . 17.8 tp10 -68.45 -76.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 34' ' ' LEU . 2.1 mp -48.06 -23.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -53.44 -38.76 63.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -75.55 -42.69 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.78 -36.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -71.75 -39.65 69.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -36.62 83.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -8.03 51.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -112.18 10.92 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.8 t30 54.76 33.59 19.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -99.63 148.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -127.93 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.92 66.81 7.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.96 142.14 27.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.442 HG23 HG13 ' A' ' 71' ' ' VAL . 63.2 mt -124.74 97.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.56 129.69 37.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -109.01 133.78 52.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' ' CG1' ' A' ' 70' ' ' VAL . 4.0 mp -88.61 108.67 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 156.71 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' CD2' ' A' ' 79' ' ' TYR . 43.9 t -80.9 134.25 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.0 85.63 57.63 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 1.06 8.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.96 63.85 0.87 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.79 88.41 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.12 -28.96 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.13 -32.25 16.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.92 137.66 2.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 37.2 p90 -84.45 111.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -136.73 162.78 32.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 20.0 m-85 -84.81 105.2 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.11 159.05 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.57 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -94.27 175.39 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.86 113.61 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.715 ' HA ' HD13 ' A' ' 34' ' ' LEU . 11.0 p90 -68.92 125.14 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.0 175.34 6.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.4 p30 -148.13 64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 10.0 t -175.66 149.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.95 155.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 3.1 mm-40 -108.58 170.18 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -84.7 38.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.83 58.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -116.14 137.73 51.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.693 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 1.1 t60 -65.04 121.18 14.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.688 HG22 ' HE3' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -95.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -118.27 111.91 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.92 124.18 27.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.662 ' CE2' HG12 ' A' ' 12' ' ' VAL . 3.1 m-85 -111.74 -165.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.25 69.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 85.86 -20.12 21.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG13 ' HG2' ' A' ' 32' ' ' PRO . 19.9 t -96.86 171.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.688 ' HE3' HG22 ' A' ' 62' ' ' VAL . 14.8 tttt -137.91 150.28 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 34' ' ' LEU . 9.9 t -131.49 152.37 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.7 m -144.32 110.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 mt -93.37 158.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.41 159.51 50.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.28 13.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 11.9 m-85 -88.91 -23.47 22.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 80' ' ' VAL . 39.9 t -89.26 -18.37 27.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.03 -49.5 92.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.578 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -106.52 -23.18 12.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.658 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 34.6 m -135.1 43.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -82.54 142.8 31.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 45.05 55.54 6.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.55 169.61 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -125.38 150.27 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.534 ' HA ' HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -107.47 108.93 20.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 97' ' ' THR . 36.9 t0 -95.18 104.77 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -85.46 118.68 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 95' ' ' GLY . 17.5 t -74.81 147.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.737 HG22 ' OE1' ' A' ' 19' ' ' GLU . 16.3 t -128.7 114.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.77 -150.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.71 -14.17 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.56 6.51 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.57 19.74 10.08 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.96 90.44 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -84.37 -169.18 45.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.42 138.06 51.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 1.2 m -157.33 134.14 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 85' ' ' LEU . 27.1 mm -111.73 129.61 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 116.64 32.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -119.36 119.08 32.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.474 0.178 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 49.86 74.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -146.42 148.86 32.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.24 87.52 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.16 108.79 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -173.09 129.32 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -120.42 104.06 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.7 ' CD1' ' HE1' ' A' ' 77' ' ' MET . 8.3 t80 -74.41 161.98 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' ' CZ ' ' A' ' 8' ' ' PHE . 10.6 mm -79.46 109.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 26.6 t80 -159.37 135.24 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -137.02 111.48 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -108.76 137.63 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -57.99 168.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.69 90.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.713 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -61.56 -51.98 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.652 HG23 ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -61.02 -55.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 17' ' ' VAL . 2.3 tt0 -51.56 -26.67 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.571 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 11.5 tp10 -58.98 -37.7 77.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.052 ' CG1' HD13 ' A' ' 34' ' ' LEU . 2.5 mp -74.05 -35.69 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -58.34 -44.12 88.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -48.92 34.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.74 -40.4 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -73.07 -39.54 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.01 -39.48 74.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -4.59 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -116.82 5.06 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t30 54.47 34.98 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -99.18 141.93 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -118.76 6.43 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -151.34 66.35 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.452 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.98 161.26 39.11 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.76 114.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.052 HD13 ' CG1' ' A' ' 20' ' ' ILE . 9.1 tp -92.38 130.84 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HA ' HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -120.01 139.68 52.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.972 HG21 HG21 ' A' ' 80' ' ' VAL . 8.2 mm -92.45 111.7 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -128.57 134.98 48.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.489 HG21 ' CD2' ' A' ' 79' ' ' TYR . 2.3 t -78.68 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -151.93 125.84 4.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.9 171.44 19.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.52 122.42 2.79 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.23 -42.81 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -42.75 99.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.62 163.33 11.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -38.85 107.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.07 131.04 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.868 ' CE2' HG12 ' A' ' 80' ' ' VAL . 2.6 m-85 -78.65 137.17 37.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.73 158.5 25.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.755 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -136.68 145.26 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.18 172.93 45.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 41.8 p90 -77.95 127.3 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.94 173.61 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -34.61 28.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -166.09 173.15 10.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.746 HG23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -91.12 155.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.33 170.17 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -87.33 21.77 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.59 52.05 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -111.81 168.54 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.9 95.94 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.04 116.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -115.23 112.74 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -73.07 134.57 44.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.88 -155.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -66.11 71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 64.86 39.12 96.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 67' ' ' GLY . 49.0 t -152.43 144.62 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.57 129.16 56.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 71' ' ' VAL . 54.0 t -102.9 161.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -144.74 156.94 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.895 HG23 ' HB ' ' A' ' 36' ' ' ILE . 7.2 mt -144.12 105.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.1 m-20 -39.21 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 18.5 Cg_endo -74.96 -20.9 16.5 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.415 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -84.99 -28.5 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' VAL . 10.9 p -88.44 -17.61 30.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.7 ' HE1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.75 -51.45 80.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.044 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -75.05 1.56 7.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -112.27 -11.08 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.972 HG21 HG21 ' A' ' 36' ' ' ILE . 4.4 m -143.63 48.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 5.8 p-10 -91.78 139.23 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.2 57.26 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.74 175.99 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 98' ' ' ILE . 6.8 pt-20 -132.18 173.63 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.548 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -133.88 107.71 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 97' ' ' THR . 45.9 t0 -96.62 133.9 40.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 40.5 t80 -85.63 99.87 11.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 97' ' ' THR . 15.1 t -99.6 154.13 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -127.33 128.04 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' PHE . 53.3 m-20 -165.28 -166.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 36.66 -141.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ptm -66.41 -15.85 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.42 118.73 0.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -94.69 -157.85 32.89 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . 144.31 -13.84 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.69 106.63 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.637 HG21 HG21 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -144.19 139.52 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 84' ' ' GLU . 3.5 mp -131.67 142.9 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.04 124.95 40.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -99.49 140.65 21.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.464 0.173 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.18 72.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -138.55 154.38 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.68 106.31 16.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.81 110.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.594 ' HG3' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -124.55 43.09 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 3.1 pt20 -122.15 104.71 9.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.645 ' O ' ' CE1' ' A' ' 61' ' ' HIS . 2.1 m-85 -120.15 159.7 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mm -85.11 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -154.74 112.77 3.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -106.12 117.49 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.633 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.83 136.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -58.56 171.6 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.92 -27.76 57.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -42.75 92.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 87' ' ' TYR . . . -64.41 -50.27 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.633 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.1 t -55.68 -48.93 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.67 -40.3 94.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 15.9 tp10 -54.22 -30.39 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.799 HG23 ' HG ' ' A' ' 34' ' ' LEU . 3.0 mm -67.59 -36.33 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -27.22 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -30.67 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.74 -32.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.15 -42.59 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -54.42 -24.98 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -2.49 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.0 2.3 8.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.6 t30 54.29 38.3 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 31' ' ' ASN . 71.2 mt -99.69 127.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 7.66 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.478 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.1 p-10 -151.12 66.79 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -74.99 115.13 4.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 91.4 mt -100.82 97.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.799 ' HG ' HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.58 137.3 32.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -117.75 140.41 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.906 ' HB ' HG23 ' A' ' 72' ' ' ILE . 6.5 mm -89.45 139.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.8 144.74 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.768 HG22 ' HE1' ' A' ' 48' ' ' TYR . 21.7 t -82.15 115.12 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.0 p -130.02 83.59 63.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.2 Cg_endo -75.0 80.38 2.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.54 1.811 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -37.62 -30.53 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . 173.1 -156.13 24.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.4 p -70.23 -13.74 62.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -61.31 -14.1 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 46' ' ' PHE . . . 102.16 -66.97 0.4 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CE2' ' HA3' ' A' ' 41' ' ' GLY . 7.4 m-85 58.66 127.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.494 ' OE1' ' CG2' ' A' ' 98' ' ' ILE . 10.6 mm-40 -90.66 179.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.768 ' HE1' HG22 ' A' ' 38' ' ' VAL . 25.9 m-85 -78.16 117.79 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.36 21.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.595 ' SD ' HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -96.16 167.07 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.24 117.64 0.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 37.0 p90 -70.07 128.91 37.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.62 175.37 6.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -100.28 -9.11 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 56' ' ' VAL . 1.8 m -165.67 168.27 16.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER -95.03 155.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.14 170.71 12.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 24.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.3 59.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -122.5 148.78 44.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.804 ' HB3' HD12 ' A' ' 72' ' ' ILE . 21.1 t-160 -66.14 72.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.6 p -76.31 98.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -116.1 143.86 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 11.9 mt-10 -87.87 139.2 30.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 63' ' ' PHE . 49.4 m-85 -129.63 -160.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -64.99 71.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 70.31 16.13 73.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 32' ' ' PRO . 59.5 t -131.89 163.46 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HD2' HG22 ' A' ' 62' ' ' VAL . 1.3 mmtp -128.02 142.88 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 65' ' ' TYR . 14.0 t -132.8 152.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 3.6 m -145.16 158.65 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.906 HG23 ' HB ' ' A' ' 36' ' ' ILE . 1.3 mp -140.79 122.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -39.47 157.88 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.95 15.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 5.9 m-85 -86.44 -25.11 25.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.789 ' O ' HG22 ' A' ' 80' ' ' VAL . 8.5 m -89.13 -18.64 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.28 -49.43 93.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.03 2.61 6.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -18.42 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 76' ' ' SER . 26.2 m -137.62 34.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.72 113.0 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 -7.7 60.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.693 ' HB1' HD11 ' A' ' 98' ' ' ILE . . . -70.12 158.44 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -115.2 121.5 43.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.595 HD21 ' SD ' ' A' ' 50' ' ' MET . 1.2 tp -89.08 106.91 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.2 98.52 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 96' ' ' PHE . 0.8 OUTLIER -86.06 129.23 34.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.59 144.59 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.25 110.05 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.54 -148.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.67 -14.25 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.85 0.78 25.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.29 12.85 33.53 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.48 85.7 0.97 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.15 111.8 3.88 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.584 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 8.0 p90 -72.78 138.11 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.8 m -159.29 154.12 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.693 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -136.46 134.15 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -107.19 113.28 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.79 144.3 29.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.53 0.205 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -135.06 -173.68 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.01 156.91 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -76.11 93.82 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.01 129.77 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.534 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 27.5 tt0 -178.05 133.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.622 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 2.0 tt0 -109.47 98.5 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 9.2 m-85 -74.86 160.47 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mm -74.71 116.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -159.56 129.31 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -133.16 121.38 22.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.686 HG22 ' CB ' ' A' ' 16' ' ' ALA . 1.8 p -110.85 144.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 16' ' ' ALA . 17.0 p -58.64 136.55 57.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.469 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HG3' HG21 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.46 -43.95 88.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.686 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -55.8 -46.41 78.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.595 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.2 t -68.16 -44.46 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.62 -33.89 68.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 28.8 tp10 -57.08 -31.96 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 3.3 mp -73.28 -38.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mppp? -50.75 -41.26 56.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.15 -51.38 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.64 -38.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.85 -42.46 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.94 -43.99 63.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -6.95 44.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -119.38 4.25 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' ALA . 45.6 t30 50.33 42.26 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.9 mt -99.39 139.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.73 4.25 16.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -151.26 65.33 6.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.533 ' O ' HG12 ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.01 116.26 4.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.81 95.39 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' CG1' ' A' ' 20' ' ' ILE . 3.3 mm? -92.16 141.34 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 25.5 ptt-85 -108.01 144.71 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.973 HG22 HG23 ' A' ' 72' ' ' ILE . 1.3 mp -104.39 117.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -143.69 169.71 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.834 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 23.4 t -79.85 147.8 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 48' ' ' TYR . 67.5 t -109.59 100.68 43.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 59.94 5.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.31 63.58 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.87 97.78 0.12 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -46.5 88.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -101.08 -45.86 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.64 47.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 50.2 p90 -166.13 109.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.91 147.2 24.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.834 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 7.9 m-85 -79.0 148.44 32.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.62 148.83 47.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.594 ' SD ' ' CE2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -102.81 169.24 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' HD12 ' A' ' 34' ' ' LEU . . . 178.35 121.13 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 24.4 p90 -68.52 117.5 10.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.42 175.09 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.51 -52.17 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 56' ' ' VAL . 1.5 t -165.03 -177.65 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.789 HG23 HG11 ' A' ' 71' ' ' VAL . 8.8 p -77.28 156.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.39 171.0 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -82.94 18.95 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.54 57.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.78 165.23 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.796 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -76.77 98.44 4.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -76.58 100.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.11 111.68 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.4 126.45 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 67' ' ' GLY . 4.1 m-85 -112.32 -163.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -64.27 70.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 88.88 -29.24 5.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 32' ' ' PRO . 1.8 t -95.4 173.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.514 ' H ' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -141.75 147.73 37.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 70.6 t -124.36 160.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.789 HG11 HG23 ' A' ' 56' ' ' VAL . 1.4 m -145.82 110.79 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.973 HG23 HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -94.9 152.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.47 156.72 86.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -24.52 12.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.3 t80 -90.77 -30.46 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -89.05 -19.88 25.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.579 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 3.4 mmm -57.96 -50.09 90.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.96 1.72 7.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 -17.83 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -135.69 34.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.9 t-20 -45.62 129.02 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.54 26.38 0.39 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.53 155.33 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -113.52 106.9 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.638 ' HB2' HD12 ' A' ' 98' ' ' ILE . 1.6 tp -85.12 106.53 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 97' ' ' THR . 10.5 t0 -98.38 105.79 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' SD ' ' A' ' 50' ' ' MET . 11.9 t80 -86.2 111.92 20.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.5 t -67.49 148.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.436 HG21 ' HG3' ' A' ' 15' ' ' LYS . 17.8 t -127.74 119.35 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' PHE . 26.2 m-20 -165.42 -177.11 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 34.46 -140.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.11 23.63 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.93 -96.26 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 162.6 -132.41 2.78 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.18 140.92 6.01 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.73 142.11 34.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -150.11 129.17 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.638 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -131.82 126.05 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.42 129.66 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -138.08 140.25 28.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.505 0.193 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.55 79.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -142.58 156.24 45.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.37 125.81 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.21 120.28 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.537 ' HG2' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -124.11 38.48 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -123.95 100.0 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.657 ' CG ' HD13 ' A' ' 72' ' ' ILE . 16.5 t80 -87.31 124.49 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mm -84.74 109.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 13.7 t80 -159.57 148.8 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -131.45 108.98 9.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.929 HG12 ' OH ' ' A' ' 65' ' ' TYR . 2.1 p -113.66 147.78 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -63.79 143.5 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.83 -26.86 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -65.07 -39.01 92.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.655 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -67.78 -50.34 57.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.823 HG21 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -64.86 -54.27 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 17' ' ' VAL . 11.4 tm-20 -52.19 -30.94 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -66.62 -33.57 75.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.972 HG13 HD22 ' A' ' 34' ' ' LEU . 2.0 mm -70.46 -29.49 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -77.71 -35.11 52.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.73 -51.17 24.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.628 HG12 ' CE2' ' A' ' 52' ' ' PHE . 13.7 t -55.13 -37.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.23 -45.33 40.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -55.87 -32.18 63.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -3.8 54.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -124.08 10.42 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.2 t30 54.52 34.56 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.28 125.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -105.09 8.45 34.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -149.7 66.62 8.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -75.01 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.5 mt -89.44 104.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.972 HD22 HG13 ' A' ' 20' ' ' ILE . 14.2 tp -90.68 112.19 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -107.51 134.67 50.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 mp -90.0 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.52 127.85 47.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.766 HG22 ' HE2' ' A' ' 48' ' ' TYR . 3.3 t -65.62 108.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.4 p -106.19 114.6 62.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.3 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.04 -57.48 0.3 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.72 160.91 51.69 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' CZ ' ' A' ' 46' ' ' PHE . 1.2 m -79.43 -50.87 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -114.54 -46.78 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.49 83.87 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 43' ' ' CYS . 32.4 m-85 -81.93 107.69 14.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.48 172.42 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.766 ' HE2' HG22 ' A' ' 38' ' ' VAL . 49.0 m-85 -115.52 123.43 48.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.58 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.78 159.04 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -117.31 153.89 32.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.64 178.5 48.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.628 ' CE2' HG12 ' A' ' 23' ' ' VAL . 17.9 m-30 -109.67 96.39 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.82 153.86 15.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.36 89.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -52.85 -173.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.54 ' N ' HG23 ' A' ' 55' ' ' THR . 1.2 t -76.18 153.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -115.78 171.05 8.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -84.05 21.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.79 45.27 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.28 131.13 56.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.03 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.96 HG23 HG12 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -76.49 123.19 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.627 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.51 137.74 52.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.1 145.98 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.929 ' OH ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -137.51 -157.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 73.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 59.08 45.09 95.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.3 t -151.28 150.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 139.56 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 34' ' ' LEU . 12.5 t -139.66 142.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.96 HG12 HG23 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -145.47 156.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.657 HD13 ' CG ' ' A' ' 8' ' ' PHE . 4.6 mp -142.06 138.6 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -60.29 160.48 17.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -83.77 -22.48 31.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -89.2 -18.0 27.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.9 -49.35 93.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.92 3.14 5.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.425 ' CD1' ' OH ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -101.19 -41.55 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.584 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 12.2 m -123.96 50.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -92.1 131.84 37.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.56 62.34 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.33 -179.12 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -136.32 153.23 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -136.33 118.73 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -95.87 112.39 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 30.5 t80 -85.49 124.5 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' GLY . 54.3 t -96.24 146.44 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.8 t -128.39 111.57 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -165.62 -149.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.08 -14.76 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.52 2.93 23.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 57.77 15.72 20.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.31 85.59 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -80.93 123.02 5.87 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -93.14 114.04 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.562 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.6 m -122.8 126.2 46.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.605 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -110.26 129.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.96 136.25 44.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -129.23 128.35 23.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.476 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -135.77 149.02 49.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -123.39 95.29 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 6' ' ' GLN . 3.2 mp0 -85.94 113.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.26 84.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' GLN . 1.1 pt20 -103.9 49.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.67 99.17 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.8 ' HZ ' HG23 ' A' ' 80' ' ' VAL . 2.6 t80 -94.4 125.46 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mm -85.85 110.24 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 25.7 t80 -155.9 151.3 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -132.43 109.56 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.567 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -111.38 147.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.88 177.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.43 -21.92 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' CD ' HG23 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.46 -47.29 76.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -59.31 -56.44 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.803 HG22 ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -55.06 -44.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.0 -40.05 83.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' OE2' ' CE2' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -56.21 -46.99 79.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.741 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.4 mm -55.21 -38.6 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 21.4 mttt -64.95 -40.88 95.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HE3' HG11 ' A' ' 89' ' ' VAL . 5.1 mttt -53.45 -50.53 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.0 -24.03 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -75.39 -51.74 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -36.17 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -6.79 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -138.1 15.58 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ALA . 16.7 t30 41.59 45.02 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 2.9 mt -96.87 107.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.08 4.99 17.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.8 68.73 8.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.0 115.73 4.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.425 ' CG1' ' HB2' ' A' ' 69' ' ' LYS . 25.3 mt -101.03 95.79 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -101.29 152.64 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' N ' HD22 ' A' ' 34' ' ' LEU . 20.0 ptt180 -125.67 143.94 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.659 ' CG2' HG23 ' A' ' 72' ' ' ILE . 5.8 tp -90.34 145.3 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -141.18 163.26 33.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.648 HG22 ' CE2' ' A' ' 48' ' ' TYR . 2.1 t -102.02 130.56 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.59 92.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 87.68 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.69 87.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.31 132.03 7.64 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -49.0 76.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -39.65 38.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.77 171.13 34.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 43.2 p90 -84.96 111.05 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 96' ' ' PHE . 23.2 mp0 -143.89 179.15 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.648 ' CE2' HG22 ' A' ' 38' ' ' VAL . 7.0 m-85 -104.61 135.41 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.7 159.75 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.633 ' CE ' ' HB1' ' A' ' 16' ' ' ALA . 1.4 mtt -113.3 157.04 22.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.41 131.25 1.53 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 29' ' ' ILE . 9.1 t80 -68.55 128.37 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.793 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 7.4 t70 -88.66 175.22 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.65 -40.97 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 56' ' ' VAL . 1.1 t -164.78 -177.57 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' THR . 1.0 OUTLIER -83.3 156.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.83 169.99 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -87.35 23.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.96 63.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 135.98 38.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -67.39 90.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.758 HG23 HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -76.59 117.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -115.52 117.48 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.75 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.825 ' CE2' HG21 ' A' ' 70' ' ' VAL . 1.1 m-30 -119.14 -165.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.23 70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.71 20.4 71.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 69' ' ' LYS . 64.2 t -138.61 165.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' HG12 ' A' ' 68' ' ' VAL . 2.5 mttt -110.93 148.1 33.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.83 HG22 HD11 ' A' ' 34' ' ' LEU . 91.6 t -142.17 150.87 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.758 HG12 HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -146.87 155.22 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.659 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.1 mp -143.12 140.05 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.12 163.05 8.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.47 8.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -80.54 -20.33 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.567 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.7 t -88.6 -18.03 28.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.745 ' HE2' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.79 -50.57 86.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.0 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.63 -36.03 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG23 ' HZ ' ' A' ' 8' ' ' PHE . 30.9 m -126.41 50.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -97.29 134.55 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.28 62.54 4.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 -179.98 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -136.19 143.98 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -128.94 116.66 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.499 ' OD2' ' CG2' ' A' ' 97' ' ' THR . 2.9 p-10 -95.97 105.75 17.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 50' ' ' MET . 1.1 t80 -85.49 124.66 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.533 ' CG1' ' OD2' ' A' ' 90' ' ' ASP . 25.5 t -99.39 149.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.462 HG23 ' CD ' ' A' ' 15' ' ' LYS . 11.8 t -129.32 104.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.533 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 5.4 m-20 -151.68 -149.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.21 -14.02 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.2 15.78 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.47 25.04 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.63 82.23 0.51 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -79.59 114.26 3.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 47' ' ' GLN . 3.1 p90 -81.3 143.83 31.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.499 ' CG2' ' OD2' ' A' ' 86' ' ' ASP . 1.3 m -159.53 138.29 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.437 HD11 ' HD1' ' A' ' 48' ' ' TYR . 6.5 mt -122.88 139.56 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -126.97 97.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.53 137.71 76.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.531 0.205 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -163.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.11 155.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.92 144.02 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' O ' ' CE1' ' A' ' 61' ' ' HIS . . . -54.84 124.37 16.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.436 ' CG ' ' H ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -104.31 33.53 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.66 112.54 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 5.7 p90 -106.77 141.07 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mm -86.87 107.8 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -161.85 152.68 17.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 12.6 mtmt -123.84 135.78 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.576 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -133.52 134.92 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.603 HG21 ' CG ' ' A' ' 86' ' ' ASP . 40.6 p -58.6 172.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.1 m-20 -75.88 -26.34 56.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -65.01 -46.59 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -59.39 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 65' ' ' TYR . 1.4 t -55.14 -48.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 63.8 mt-10 -51.09 -51.35 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.745 ' OE1' HG22 ' A' ' 89' ' ' VAL . 1.3 tt0 -45.6 -49.44 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.635 HG12 HD13 ' A' ' 34' ' ' LEU . 1.2 mp -66.66 -41.71 88.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.685 ' HG3' HG21 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -59.29 -44.22 92.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -48.15 42.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 52' ' ' PHE . 2.5 t -50.81 -56.27 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -60.29 -43.25 96.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.96 -35.06 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.38 -6.77 54.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -116.74 8.69 13.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 62.64 33.43 15.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.583 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 95.4 mt -99.44 145.31 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.13 6.56 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.29 66.87 7.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.586 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 160.21 40.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.4 113.55 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.988 ' HB3' HG22 ' A' ' 70' ' ' VAL . 38.1 tp -92.59 114.52 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -109.83 117.93 35.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.76 112.59 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.76 154.41 30.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.807 HG22 ' CE2' ' A' ' 48' ' ' TYR . 92.3 t -85.28 132.95 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.5 t -116.94 84.95 16.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.34 -87.8 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 144.69 44.42 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -33.6 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.29 -33.92 8.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.96 126.3 8.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.47 ' CG ' ' O ' ' A' ' 46' ' ' PHE . 8.3 p90 -170.98 81.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' HG22 ' A' ' 98' ' ' ILE . 9.4 mm-40 -98.58 174.74 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.807 ' CE2' HG22 ' A' ' 38' ' ' VAL . 56.6 m-85 -94.37 118.58 31.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -82.01 158.92 23.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.717 ' SD ' HD11 ' A' ' 34' ' ' LEU . 1.4 mmm -107.97 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.32 -172.47 44.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.631 ' CD1' HG11 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -137.45 123.64 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -114.68 174.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.12 44.26 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 t -164.86 152.49 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.45 154.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -98.81 170.66 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 45.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 66.85 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -125.66 126.11 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.588 ' CE1' ' O ' ' A' ' 5' ' ' ALA . 96.7 m-70 -64.08 104.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' H ' ' CG ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -92.0 128.44 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.631 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -118.31 134.67 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -91.81 106.74 18.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.64 ' CE1' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -99.52 -160.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.88 70.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.57 33.7 60.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.685 HG21 ' HG3' ' A' ' 21' ' ' LYS . 41.7 t -147.87 157.68 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -119.19 143.1 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 34' ' ' LEU . 12.4 t -129.96 149.19 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.2 m -145.34 151.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ASP . 12.0 mt -145.6 120.66 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ILE . 3.0 m-20 -39.48 158.43 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.51 16.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -88.29 -29.99 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.758 ' O ' HG22 ' A' ' 80' ' ' VAL . 79.8 p -89.26 -18.67 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.514 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -56.59 -49.7 92.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.6 Cg_endo -74.95 1.18 7.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 75' ' ' PHE . 12.9 m-85 -107.61 -19.98 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 76' ' ' SER . 30.3 m -135.74 47.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -100.69 140.22 35.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.11 60.88 5.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.18 158.31 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.95 134.24 44.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 0.8 OUTLIER -120.68 106.8 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.603 ' CG ' HG21 ' A' ' 13' ' ' THR . 1.7 t0 -97.92 101.34 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.709 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 3.8 t80 -85.28 110.93 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.44 146.93 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.745 HG22 ' OE1' ' A' ' 19' ' ' GLU . 11.0 t -127.75 118.52 49.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' PHE . 55.1 m-20 -165.46 -174.43 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.4 t80 35.0 -140.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.71 17.64 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.98 -99.01 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 163.57 -154.45 25.36 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.58 115.0 0.91 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 9.5 m-85 -76.68 120.74 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 127.6 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.431 HG22 ' OE1' ' A' ' 47' ' ' GLN . 1.5 tt -126.41 123.24 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.78 129.77 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.97 146.77 52.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ptp . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.465 0.174 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -179.42 176.02 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.82 156.74 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -124.76 103.07 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.42 130.96 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.821 ' HG2' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -124.4 36.34 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.7 103.84 8.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 15.3 p90 -120.72 124.77 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.91 135.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -159.63 127.75 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -93.08 114.7 27.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG11 HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -131.45 125.55 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 p -58.69 151.06 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.61 -28.05 43.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HD3' HG23 ' A' ' 89' ' ' VAL . 0.8 OUTLIER -64.27 -39.51 94.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -66.43 -58.2 5.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG21 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -54.59 -46.93 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -57.01 -40.51 76.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.749 ' OE1' HG22 ' A' ' 89' ' ' VAL . 13.3 tp10 -47.26 -32.99 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.976 HG13 HD22 ' A' ' 34' ' ' LEU . 2.4 mp -76.55 -42.68 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -51.54 -38.54 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -48.01 21.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 t -57.67 -39.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.29 -41.03 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.91 -47.11 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.73 -13.28 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' ALA . 18.5 m120 -109.84 -0.4 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.8 t30 52.37 41.54 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.746 HG22 ' H ' ' A' ' 31' ' ' ASN . 59.4 mt -99.93 144.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.77 4.25 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.746 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -151.72 66.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 118.24 5.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mt -105.53 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.976 HD22 HG13 ' A' ' 20' ' ' ILE . 2.3 mp -98.51 142.5 30.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 20.3 ttp180 -107.98 146.86 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -114.92 110.77 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 171.45 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG22 ' CE2' ' A' ' 48' ' ' TYR . 3.2 t -80.65 125.65 39.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -126.52 124.9 24.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 101.46 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.8 179.04 35.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.08 -167.72 12.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.7 -50.24 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -46.04 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.92 55.86 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.44 39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 96' ' ' PHE . 1.2 pp0? -96.58 158.49 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 98' ' ' ILE . 10.2 m-85 -114.75 116.16 28.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.09 159.21 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.933 ' HB2' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.47 161.81 26.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . -177.4 134.52 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 33.6 p90 -68.78 125.11 25.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASP . 16.6 t0 -106.71 175.14 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.4 p-10 -39.68 -52.31 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.7 t -174.41 -176.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.778 HG23 HG11 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -76.81 155.73 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -81.26 171.04 15.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.95 23.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.87 56.01 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 3.2 t0 -120.39 134.73 55.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.604 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 2.8 m-70 -62.94 85.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.895 HG23 HG12 ' A' ' 71' ' ' VAL . 2.5 p -89.11 134.94 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.629 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.52 152.69 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -98.16 118.41 34.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -107.99 -164.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.75 70.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.81 -4.57 60.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 69' ' ' LYS . 58.6 t -106.85 163.71 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' N ' HG12 ' A' ' 68' ' ' VAL . 1.4 mttp -124.83 148.8 48.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 25.5 t -146.62 159.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.895 HG12 HG23 ' A' ' 62' ' ' VAL . 1.5 m -144.43 159.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 8' ' ' PHE . 8.9 mt -147.51 129.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.09 153.57 0.51 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -90.42 -29.48 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -89.85 -19.37 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.537 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 4.0 mmm -57.5 -48.77 96.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.97 1.6 7.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' C ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -102.21 -0.94 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 4.4 m -151.77 22.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -44.72 124.65 4.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 43.19 28.72 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.44 162.67 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -110.13 104.8 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.725 ' HB2' HD12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -104.42 108.05 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -96.81 100.78 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 50' ' ' MET . 1.4 t80 -85.23 127.18 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.25 154.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.749 HG22 ' OE1' ' A' ' 19' ' ' GLU . 26.3 t -127.24 121.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' PHE . 64.9 m-20 -165.43 -175.8 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 34.92 -140.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.5 20.69 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.21 -107.5 0.22 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.99 -174.83 46.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.44 -178.46 19.8 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD2' ' NE2' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -129.06 128.39 43.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.3 m -149.83 119.25 6.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.725 HD12 ' HB2' ' A' ' 85' ' ' LEU . 3.1 tt -121.12 143.03 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 127.64 45.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -98.19 141.76 23.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.454 0.169 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 45.31 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -136.86 109.84 7.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.49 82.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.06 125.75 25.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -165.17 107.89 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 7.7 pt20 -118.98 99.01 6.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.584 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -100.67 150.6 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.71 HG23 ' H ' ' A' ' 82' ' ' GLY . 0.6 OUTLIER -82.55 131.79 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.469 ' CG ' HD11 ' A' ' 72' ' ' ILE . 18.9 t80 -159.46 139.16 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -135.07 115.77 13.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.7 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -121.95 139.62 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.413 HG21 ' CG ' ' A' ' 86' ' ' ASP . 35.6 p -62.29 155.2 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.77 -32.16 69.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -65.17 -42.08 94.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.7 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -66.22 -50.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.47 -46.62 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.1 tp10 -49.36 -33.29 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.806 HG13 HD22 ' A' ' 34' ' ' LEU . 1.4 mm -70.83 -45.23 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -65.41 -34.76 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -76.15 -34.69 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -72.44 -49.41 33.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -18.13 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.57 -10.72 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -120.56 0.76 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.09 43.1 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.659 HG22 ' H ' ' A' ' 31' ' ' ASN . 18.7 mt -99.43 139.62 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.28 4.88 18.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.659 ' H ' HG22 ' A' ' 29' ' ' ILE . 16.4 m-80 -151.71 65.65 6.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.02 123.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 HG13 ' A' ' 71' ' ' VAL . 2.2 mt -98.1 101.02 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD22 HG13 ' A' ' 20' ' ' ILE . 1.7 tp -90.74 114.62 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 2.9 ptm180 -102.05 122.31 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.617 HG23 ' CD2' ' A' ' 48' ' ' TYR . 1.6 mp -89.01 108.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.95 155.0 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.749 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 95.0 t -76.78 156.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 49' ' ' ALA . 95.4 t -129.29 131.63 23.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -75.0 68.92 5.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.43 -59.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' CD1' ' A' ' 46' ' ' PHE . . . -49.75 108.8 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.65 -41.61 45.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -94.93 -41.72 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.16 107.15 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 59.0 m-85 -68.7 86.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.801 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.95 139.19 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.749 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 9.7 m-85 -83.34 145.33 29.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' A' ' 39' ' ' VAL . . . -91.53 159.31 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.556 ' HG2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -108.1 146.84 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.67 174.8 47.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -117.88 125.66 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.958 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.92 175.87 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -32.75 18.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -165.92 172.06 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.653 HG22 HG11 ' A' ' 71' ' ' VAL . 1.4 t -80.65 155.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' CD ' ' OD2' ' A' ' 60' ' ' ASP . 18.7 mt-10 -85.39 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.9 28.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -116.86 166.66 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.761 ' CE1' ' CD1' ' A' ' 63' ' ' PHE . 21.4 t60 -78.46 116.85 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 62' ' ' VAL . 1.2 t -94.96 98.97 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.761 ' CD1' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -116.9 110.34 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.76 124.46 27.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CD1' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -109.25 -167.2 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.13 70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.29 29.81 52.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 69' ' ' LYS . 65.8 t -148.64 160.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 68' ' ' VAL . 2.3 ttmt -124.52 156.76 36.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' CG2' HD23 ' A' ' 34' ' ' LEU . 2.9 t -140.03 156.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG11 HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -146.34 111.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.7 mt -95.49 161.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 77' ' ' MET . 62.9 m-20 -78.11 149.25 76.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -22.89 14.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.537 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -94.96 -24.88 16.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 38' ' ' VAL . 1.3 m -91.4 -26.69 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.589 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 8.9 mmm -58.18 -45.5 99.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.06 2.79 6.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 -20.64 16.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 80' ' ' VAL . 2.5 m -141.76 43.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 3.9 p30 -47.85 137.37 9.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 36.99 32.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.76 -179.02 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -131.22 110.03 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD13 HD11 ' A' ' 98' ' ' ILE . 1.1 tp -95.23 106.21 18.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 97' ' ' THR . 6.9 t0 -98.7 102.24 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 18.4 t80 -85.8 125.32 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t -88.02 141.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.9 t -128.61 112.38 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -165.56 -148.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -15.42 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.6 mtm -83.63 9.36 11.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.52 22.97 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.74 119.08 3.32 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.82 -179.71 19.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 5.9 m-85 -128.07 116.76 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -137.82 127.19 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.619 HD11 HD13 ' A' ' 85' ' ' LEU . 48.9 mm -116.31 123.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 99.65 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -69.64 154.74 94.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.465 0.174 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.22 105.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.45 122.11 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -118.96 171.73 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.881 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . . . -54.49 166.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -105.63 146.96 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.687 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . 4.9 pt20 -92.72 101.47 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.653 ' O ' ' CE1' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -73.23 160.03 32.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mm -81.84 114.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 83' ' ' ALA . 35.6 t80 -157.03 131.75 8.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.56 124.38 41.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.856 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -105.01 137.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 p -55.2 147.89 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.428 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -32.89 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.64 94.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.64 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -48.89 69.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.856 HG23 ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -65.66 -53.01 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' HG12 ' A' ' 17' ' ' VAL . 31.6 tt0 -52.98 -32.66 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.781 ' OE2' HG23 ' A' ' 23' ' ' VAL . 8.0 tp10 -64.33 -36.09 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.695 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.8 mm -67.66 -33.09 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -70.54 -40.42 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -51.08 43.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.781 HG23 ' OE2' ' A' ' 19' ' ' GLU . 2.6 t -52.84 -40.96 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -71.87 -39.95 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -20.16 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.235 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.82 -18.66 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -108.22 13.22 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 55.3 32.32 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -99.41 148.44 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -127.94 7.5 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.45 66.08 6.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.631 ' HB2' HG22 ' A' ' 20' ' ' ILE . 18.2 Cg_endo -75.04 139.58 24.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.442 HG23 HG13 ' A' ' 71' ' ' VAL . 3.5 mt -104.47 112.98 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.998 ' HB3' HG22 ' A' ' 70' ' ' VAL . 54.4 tp -92.92 112.3 24.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -103.31 126.52 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.6 116.06 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.36 154.75 45.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -96.81 120.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG23 ' HD2' ' A' ' 40' ' ' PRO . 7.1 p -143.8 141.39 18.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.02 91.21 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -40.91 -61.43 1.95 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.1 -135.39 7.46 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -38.66 75.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.22 155.06 7.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -80.22 96.7 6.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HB3' HD12 ' A' ' 98' ' ' ILE . 2.0 mt-30 -136.49 153.43 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.603 ' H ' HD13 ' A' ' 98' ' ' ILE . 29.4 m-85 -78.8 118.48 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -80.84 159.06 25.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.895 ' HG2' HD11 ' A' ' 34' ' ' LEU . 7.5 mtp -107.11 174.92 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.86 -171.86 40.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.34 127.79 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.04 174.96 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -136.22 65.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -179.66 168.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' N ' HG23 ' A' ' 55' ' ' THR . 1.2 t -134.5 155.93 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.48 170.52 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.85 24.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.881 ' HA2' ' HB2' ' A' ' 5' ' ' ALA . . . 169.25 66.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' VAL . 3.5 t0 -123.26 145.08 48.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.74 ' ND1' HD12 ' A' ' 72' ' ' ILE . 3.7 t-160 -65.8 74.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.4 p -75.43 107.73 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.94 144.2 44.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -87.73 140.28 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' GLY . 9.2 m-85 -128.64 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -66.48 70.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 69.39 39.39 80.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -150.22 152.04 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.06 143.05 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.998 HG22 ' HB3' ' A' ' 34' ' ' LEU . 5.8 t -138.23 154.96 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.442 HG13 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -144.54 150.71 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.74 HD12 ' ND1' ' A' ' 61' ' ' HIS . 11.0 mt -144.21 145.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.75 164.31 51.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.43 14.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -80.99 -14.31 58.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.643 ' O ' HG22 ' A' ' 80' ' ' VAL . 20.4 m -88.85 -19.66 25.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.592 ' HG2' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.36 -51.2 83.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.04 3.33 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE2' HG11 ' A' ' 38' ' ' VAL . 2.1 m-85 -113.16 -27.83 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 76' ' ' SER . 6.4 m -131.77 46.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 9.5 p-10 -61.02 101.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.18 11.27 31.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.535 ' O ' ' CD1' ' A' ' 10' ' ' PHE . . . -75.59 155.11 36.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -113.2 144.33 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD21 ' SD ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -104.29 107.72 18.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -96.51 99.05 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 53.3 t80 -85.22 115.54 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.2 t -76.3 151.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.53 122.43 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 91' ' ' PHE . 54.6 m-20 -165.37 -173.9 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.7 t80 35.38 -140.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.29 27.5 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.85 -108.0 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.59 -172.1 43.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -138.5 123.55 2.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 96' ' ' PHE . 26.9 p90 -72.87 117.65 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -124.47 148.03 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 84' ' ' GLU . 4.8 mp -139.09 145.94 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -122.88 152.04 41.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -132.48 128.16 20.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.462 0.172 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.87 125.97 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.0 155.7 41.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -75.53 79.08 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 6' ' ' GLN . . . -75.18 166.54 23.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 26.9 tt0 68.21 133.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -121.94 112.14 17.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -72.32 156.23 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -85.54 138.78 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 7.9 t80 -158.94 146.34 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -133.53 116.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.647 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -130.41 132.45 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.4 168.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -27.2 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.4 79.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.647 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -59.65 -50.33 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -60.81 -44.48 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.72 -41.91 87.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.0 tp10 -53.43 -28.01 27.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.78 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.1 mm -79.71 -36.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -53.65 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.6 -37.64 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 19' ' ' GLU . 14.5 t -67.58 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -52.77 -50.86 62.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -38.1 15.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.27 -22.37 41.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.465 ' OD1' HG12 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -95.99 -0.57 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 61.13 27.77 17.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.689 HG22 ' H ' ' A' ' 31' ' ' ASN . 66.4 mt -100.77 144.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.33 4.38 15.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.689 ' H ' HG22 ' A' ' 29' ' ' ILE . 6.9 t-20 -145.37 69.16 13.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.729 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.03 125.58 9.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 31' ' ' ASN . 2.4 mp -105.83 95.41 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.711 ' HG ' HG23 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -91.37 114.05 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.619 ' HA ' HG23 ' A' ' 71' ' ' VAL . 10.3 ttm180 -99.89 132.25 45.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.716 HG23 ' CG ' ' A' ' 48' ' ' TYR . 15.2 mm -88.34 117.34 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 39' ' ' VAL . 8.9 ttt180 -126.89 113.53 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 76' ' ' SER . 58.9 t -45.88 132.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 37' ' ' ARG . 78.1 t -125.21 81.5 63.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.76 3.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.92 147.51 13.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.7 176.6 22.4 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.06 -30.03 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -104.98 -47.29 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 43.87 -152.54 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 2.6 t80 72.42 -59.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 47' ' ' GLN . 3.1 pp0? -61.77 163.52 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.832 ' HE1' HD22 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -118.65 144.02 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.541 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -84.88 159.05 20.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.576 ' HB3' HD12 ' A' ' 34' ' ' LEU . 6.6 mtt -103.36 159.18 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.55 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 177.86 137.26 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.78 131.16 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.17 175.13 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.58 -43.81 84.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 t -164.36 -178.66 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -78.88 156.2 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.8 170.62 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 21.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.33 54.67 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -120.11 142.88 48.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 67.3 m-70 -64.84 90.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -75.35 111.54 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 131.65 56.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -82.07 128.37 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 17' ' ' VAL . 1.9 m-85 -123.57 -164.88 1.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.43 72.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 67.73 39.53 90.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.729 HG13 ' HG2' ' A' ' 32' ' ' PRO . 66.6 t -150.0 158.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.24 109.91 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.641 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 60.3 t -102.42 147.46 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.619 HG23 ' HA ' ' A' ' 35' ' ' ARG . 24.4 m -144.63 158.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.028 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 7.5 mt -145.41 140.43 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.97 155.05 56.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.7 17.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.465 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 82.0 m-85 -87.37 -28.81 21.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.881 ' HB3' HG23 ' A' ' 38' ' ' VAL . 88.0 p -89.88 -18.16 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.572 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -55.93 -47.84 97.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.05 4.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.69 ' O ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -104.89 -1.84 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 79' ' ' TYR . 12.5 m -160.07 38.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.6 p-10 -44.42 112.69 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.75 27.16 0.32 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.473 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . . . -75.82 172.31 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 0.797 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' HD13 ' A' ' 98' ' ' ILE . 26.0 tt0 -101.76 130.04 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.832 HD22 ' HE1' ' A' ' 48' ' ' TYR . 1.2 tp -116.69 105.38 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.31 97.56 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -85.82 106.17 16.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.0 t -68.46 149.1 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG22 ' OE1' ' A' ' 19' ' ' GLU . 11.4 t -127.73 119.6 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' PHE . 34.4 m-20 -165.41 -174.62 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 35.12 -140.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.0 mtt -93.37 25.33 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.8 -103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.83 -165.22 38.61 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.53 126.03 4.79 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 1.5 m-85 -81.11 117.35 21.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 0.775 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 122.96 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -123.01 124.46 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -114.87 108.83 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -110.81 135.34 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.952 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 65.38 70.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -147.31 153.94 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 79.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.05 119.55 19.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 6.6 tt0 -171.84 126.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.621 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 26.5 tt0 -121.28 102.49 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.642 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 79.5 m-85 -74.36 161.07 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.29 110.75 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -159.39 135.04 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -137.37 115.14 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG12 ' OH ' ' A' ' 65' ' ' TYR . 3.3 p -102.94 147.46 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.475 HG21 ' HB3' ' A' ' 86' ' ' ASP . 47.6 p -58.47 154.16 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.41 -25.06 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -65.43 -43.35 90.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 20' ' ' ILE . . . -58.53 -59.53 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -56.4 -41.89 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.04 -36.34 81.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 6.3 tp10 -59.98 -55.8 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 16' ' ' ALA . 5.0 mp -62.28 -31.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -60.87 -49.6 76.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.28 -45.47 39.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.553 ' CG1' ' CE2' ' A' ' 52' ' ' PHE . 2.4 t -53.86 -54.8 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -57.12 -37.08 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -2.02 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -111.4 4.61 19.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.31 29.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 74.9 mt -99.43 146.08 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.2 5.56 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -151.85 66.36 6.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 163.16 35.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.684 HG23 HG13 ' A' ' 71' ' ' VAL . 58.9 mt -138.17 133.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.666 ' CD1' HG21 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -90.69 118.51 30.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.537 ' N ' ' HE1' ' A' ' 50' ' ' MET . 8.1 tmm_? -114.01 114.31 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.7 mp -87.92 116.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.52 149.89 49.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' CE2' ' A' ' 48' ' ' TYR . 6.8 t -101.38 110.84 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.52 136.87 22.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 60.71 5.46 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.445 1.76 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.76 67.52 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 105.5 121.01 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.1 p -67.66 -18.68 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -95.23 -24.02 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.596 ' C ' ' CD1' ' A' ' 46' ' ' PHE . . . -97.56 -65.64 0.9 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 45' ' ' GLY . 52.2 p90 41.03 28.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -71.5 177.54 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.78 ' CE2' HG22 ' A' ' 38' ' ' VAL . 49.3 m-85 -106.45 115.11 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.72 159.16 25.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -94.22 172.07 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.17 95.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 32.8 p90 -68.08 108.47 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -110.98 174.18 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -126.5 57.69 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -165.8 179.02 6.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -139.36 153.44 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -93.34 170.94 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.05 18.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.52 41.58 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -96.73 141.14 30.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.679 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -75.9 107.1 7.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.677 HG22 ' HD3' ' A' ' 69' ' ' LYS . 1.1 t -76.45 100.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.25 111.54 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.57 125.17 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.61 ' OH ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -111.59 -156.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -66.49 69.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 86.81 -29.17 5.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 t -94.95 156.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.677 ' HD3' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -113.08 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.492 HG22 HD22 ' A' ' 34' ' ' LEU . 55.7 t -124.19 155.68 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.684 HG13 HG23 ' A' ' 33' ' ' ILE . 1.2 m -145.05 151.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.612 HG13 ' C ' ' A' ' 71' ' ' VAL . 2.1 mt -139.15 163.41 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.32 161.48 42.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.96 16.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.426 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 2.5 t80 -94.21 -9.57 35.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.874 ' O ' HG22 ' A' ' 80' ' ' VAL . 9.8 t -88.92 -19.54 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -56.91 -50.98 85.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.08 0.68 8.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CE2' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -116.04 -11.98 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.874 HG22 ' O ' ' A' ' 76' ' ' SER . 7.7 m -145.96 41.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -86.79 121.49 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 58.89 12.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.58 152.87 27.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -120.13 108.6 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.475 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -95.39 103.48 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 50' ' ' MET . 8.6 t80 -85.72 123.31 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.79 152.21 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.1 t -127.59 120.27 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' PHE . 61.3 m-20 -165.38 -177.44 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 t80 34.85 -140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.79 8.9 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.9 -101.87 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.58 -155.61 26.67 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.61 177.81 18.75 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -124.29 128.97 49.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.975 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -140.36 143.7 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.5 mm -120.22 134.86 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.23 143.61 46.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -122.06 149.64 54.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.749 ' CD2' HD13 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -78.23 130.23 36.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 13.5 mm -73.92 110.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 2.5 t80 -156.93 149.66 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.0 mmtt -135.4 110.81 9.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -113.28 142.67 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.507 HG21 ' CG ' ' A' ' 86' ' ' ASP . 49.9 p -61.82 178.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -25.54 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -65.74 -49.05 69.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -52.79 -57.7 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 ' HD2' ' A' ' 65' ' ' TYR . 2.2 t -54.94 -43.55 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.58 -33.37 72.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.578 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 2.7 tp10 -66.55 -38.05 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.972 HG13 HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -74.05 -42.0 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -64.07 -40.28 95.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -69.54 -51.12 38.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.22 -47.53 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.752 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -67.95 -42.5 80.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -56.4 -33.7 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.52 -8.41 59.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 35.8 m-80 -108.36 -10.63 15.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 10.9 t30 78.44 28.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.743 HG22 ' H ' ' A' ' 31' ' ' ASN . 32.5 mt -99.45 146.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.11 9.45 11.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -150.71 66.82 7.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.752 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.02 130.07 12.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.25 115.41 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.972 HD22 HG13 ' A' ' 20' ' ' ILE . 15.4 tp -91.91 115.58 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -106.29 144.9 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.716 HD12 ' CE1' ' A' ' 48' ' ' TYR . 9.8 mm -103.07 131.33 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -148.09 118.49 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.53 129.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 37' ' ' ARG . 72.3 t -126.43 136.17 28.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 39' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 36' ' ' ILE . 8.9 p90 -78.22 138.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.71 159.36 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.821 ' HB3' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -107.63 173.39 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.38 172.36 43.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -109.42 120.92 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.01 175.89 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.82 -45.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 t -71.0 -178.98 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.89 155.58 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 170.18 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.08 47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.49 72.72 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 143.44 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.603 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 11.3 m80 -64.97 88.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.686 HG23 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -78.52 113.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 2.7 t80 -116.17 118.82 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -67.94 136.24 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.683 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.0 m-85 -112.43 -167.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.53 70.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.71 36.37 43.03 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 48.1 t -153.33 154.71 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -96.75 147.1 24.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 34' ' ' LEU . 98.5 t -145.92 152.22 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.686 HG12 HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -144.69 158.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.749 HD13 ' CD2' ' A' ' 8' ' ' PHE . 5.3 mp -143.86 130.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.13 166.4 2.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.11 14.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.445 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.2 m-85 -87.79 -30.82 19.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.0 p -89.17 -18.24 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.639 ' CE ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.94 -49.36 93.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.02 1.94 7.2 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.23 4.3 33.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.513 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 32.7 m -151.85 33.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.27 104.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.17 16.3 13.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.47 173.8 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 1.8 tt0 -124.88 133.32 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.674 HD21 ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -117.07 108.74 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.507 ' CG ' HG21 ' A' ' 13' ' ' THR . 6.9 t0 -97.41 102.28 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 1.5 t80 -85.28 123.71 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.6 113.33 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -130.92 136.14 48.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.596 HD12 ' CE2' ' A' ' 48' ' ' TYR . 4.3 tt -135.18 136.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.53 138.69 54.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -123.85 122.87 26.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.587 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.2 p90 -95.91 141.79 28.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.51 109.51 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 26.2 t80 -160.59 151.21 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -127.56 128.12 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.58 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -124.3 140.88 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -63.58 155.06 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 2.7 m-20 -61.71 -23.14 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -64.52 -39.48 93.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB3' HG22 ' A' ' 12' ' ' VAL . . . -71.9 -50.94 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -61.57 -58.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -54.81 -24.17 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 20.4 tp10 -75.16 -17.87 60.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.561 HG23 ' CE2' ' A' ' 52' ' ' PHE . 4.1 mm -79.31 -55.3 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.37 -22.36 42.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -50.73 30.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.815 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -69.83 -24.48 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.26 -51.05 14.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -15.92 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 0.52 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -138.13 15.58 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 53.17 43.21 31.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 31' ' ' ASN . 71.0 mt -99.1 140.44 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -120.15 5.74 10.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.43 ' H ' HG22 ' A' ' 29' ' ' ILE . 40.2 t-20 -151.35 66.04 6.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.99 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.0 mt -92.68 96.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD11 ' CG ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -92.03 118.86 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -108.54 139.84 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 48' ' ' TYR . 2.0 mp -96.34 108.8 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -121.87 152.5 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG22 ' OH ' ' A' ' 48' ' ' TYR . 5.1 t -70.32 157.73 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -150.79 108.96 3.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' OH ' HG22 ' A' ' 38' ' ' VAL . 32.1 m-85 -83.08 112.96 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . . . -80.56 159.3 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.641 ' CG ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.9 174.86 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.14 140.53 3.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.815 ' CE1' HG11 ' A' ' 23' ' ' VAL . 4.3 m-85 -112.02 113.62 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.08 175.3 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -129.54 62.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 56' ' ' VAL . 1.2 t -178.36 172.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.416 ' N ' ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -134.95 155.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -89.26 170.78 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.49 29.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.1 60.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.64 126.47 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -66.66 101.39 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.779 HG23 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -89.83 123.46 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -115.87 123.75 48.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.44 127.8 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.585 ' CD1' HG21 ' A' ' 17' ' ' VAL . 2.5 m-85 -113.75 -165.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.15 71.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.25 35.71 60.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 32' ' ' PRO . 78.9 t -150.49 151.96 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -108.04 145.43 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 34' ' ' LEU . 5.5 t -143.88 153.26 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.779 HG12 HG23 ' A' ' 62' ' ' VAL . 1.8 m -144.78 162.07 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG13 ' CE2' ' A' ' 8' ' ' PHE . 5.4 mt -144.98 125.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -47.27 158.72 0.45 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.09 13.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.447 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 4.0 m-85 -89.37 -26.66 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 -19.74 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.496 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.63 -50.7 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.01 1.06 8.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -27.45 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.76 31.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.81 114.16 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.94 -34.66 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.2 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.63 137.12 39.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -110.11 109.55 20.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.498 ' OD2' HG22 ' A' ' 97' ' ' THR . 0.5 OUTLIER -96.34 129.36 43.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 49.2 t80 -85.1 124.92 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.614 HG23 ' HB ' ' A' ' 97' ' ' THR . 77.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -119.1 129.98 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.614 ' HB ' HG23 ' A' ' 88' ' ' VAL . 1.2 m -143.2 156.7 44.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.13 141.87 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.77 97.31 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -85.83 119.01 71.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.895 ' CG ' HD12 ' A' ' 72' ' ' ILE . 2.6 t80 -102.36 128.63 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.29 110.13 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 38.1 t80 -159.04 146.8 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -125.09 112.73 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -110.67 141.18 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.565 HG21 ' CG ' ' A' ' 86' ' ' ASP . 2.2 p -58.55 170.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -27.34 55.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.06 -45.97 83.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -57.22 -59.6 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.736 HG22 ' HD2' ' A' ' 65' ' ' TYR . 1.7 t -55.33 -44.06 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.29 -23.22 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 6.5 tp10 -82.51 -31.3 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.637 HD13 ' N ' ' A' ' 20' ' ' ILE . 2.9 mm -70.38 -51.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -22.64 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -74.85 -51.15 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.608 HG11 ' CD1' ' A' ' 52' ' ' PHE . 1.6 t -61.74 -38.83 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.864 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -66.37 -51.06 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.99 -26.74 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.46 -12.58 59.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -116.06 9.75 14.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.76 20.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.605 HG22 ' H ' ' A' ' 31' ' ' ASN . 64.5 mt -98.75 136.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.48 10.18 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.605 ' H ' HG22 ' A' ' 29' ' ' ILE . 16.6 t-20 -149.73 66.79 8.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.864 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.99 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.611 HG23 HG13 ' A' ' 71' ' ' VAL . 4.6 mt -92.7 106.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.708 HD12 ' H ' ' A' ' 51' ' ' GLY . 1.3 tp -91.77 128.17 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -110.92 126.79 55.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.548 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.4 mp -89.29 109.07 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 144.8 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 48' ' ' TYR . 2.9 t -73.35 154.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -130.3 92.4 35.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 31.3 m-85 -91.47 122.54 34.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.15 159.17 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.65 ' HG2' HD11 ' A' ' 34' ' ' LEU . 9.6 mtt -109.9 174.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.708 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -176.41 -170.93 39.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD1' HG11 ' A' ' 23' ' ' VAL . 1.2 p90 -138.5 126.67 22.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.89 172.68 9.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' HA ' HD12 ' A' ' 33' ' ' ILE . 21.2 m-20 -125.67 -45.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -67.68 179.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.33 155.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 170.86 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -83.3 40.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.72 66.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -108.21 142.0 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.01 81.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -76.74 114.62 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -117.35 120.46 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.96 134.06 53.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 70' ' ' VAL . 1.9 m-30 -113.76 -167.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.62 70.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . . . 74.59 36.33 49.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 38.8 t -152.87 161.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 0.8 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 2.5 mttt -102.56 147.95 26.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 65' ' ' TYR . 46.9 t -146.24 158.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.611 HG13 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -146.56 154.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.895 HD12 ' CG ' ' A' ' 8' ' ' PHE . 4.6 mt -144.57 115.17 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 161.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.2 13.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 14.9 m-85 -80.72 -19.81 44.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -87.87 -18.49 29.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.08 -52.98 70.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -43.79 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.639 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 22.6 m -122.74 49.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 5.5 p-10 -79.54 100.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.94 -24.39 11.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.46 176.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 9.1 pt-20 -132.35 156.29 46.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -135.64 107.75 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.565 ' CG ' HG21 ' A' ' 13' ' ' THR . 24.7 t0 -97.08 123.72 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 3.8 t80 -85.42 138.27 32.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -128.57 147.81 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 2.1 m -153.52 144.36 22.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 85' ' ' LEU . 15.2 mm -109.17 139.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 2.2 mtt180 -127.27 96.95 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.88 117.38 24.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 15.4 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.804 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -74.6 159.41 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.12 110.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -159.49 137.37 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 84' ' ' GLU . 49.0 mmtt -135.99 118.92 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.824 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.02 134.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.85 HG21 ' CG ' ' A' ' 86' ' ' ASP . 43.6 p -55.28 155.81 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -62.94 -24.69 67.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -63.69 -41.62 98.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 19' ' ' GLU . . . -72.08 -51.15 22.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.824 HG23 ' CG1' ' A' ' 12' ' ' VAL . 1.4 t -60.2 -45.95 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -73.86 -5.62 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.4 tp10 -90.2 -17.54 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.895 ' CG2' HD11 ' A' ' 34' ' ' LEU . 1.5 mm -88.06 -31.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -60.0 -36.96 78.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -75.02 -28.65 60.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 1.4 t -77.57 -38.66 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -40.44 55.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -51.72 -44.88 63.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -15.74 63.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.52 8.82 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 57.99 25.02 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -99.47 136.77 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.75 8.51 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.18 75.08 8.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.3 38.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.43 HG23 HG13 ' A' ' 71' ' ' VAL . 7.7 mt -130.59 112.69 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.895 HD11 ' CG2' ' A' ' 20' ' ' ILE . 2.1 mm? -88.95 110.74 21.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -99.02 122.59 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.504 ' CG2' HG23 ' A' ' 72' ' ' ILE . 1.1 mp -88.1 128.17 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -150.89 123.95 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.579 HG22 ' HE1' ' A' ' 48' ' ' TYR . 3.9 t -60.07 120.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.2 p -96.49 117.01 66.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.78 ' CZ ' HG12 ' A' ' 80' ' ' VAL . 92.4 m-85 -88.44 102.81 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -82.56 138.75 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 34' ' ' LEU . 4.7 ptt? -121.9 165.75 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.54 161.83 27.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 33.6 p90 -69.67 115.22 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' OD2' HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -86.14 174.61 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.28 -41.95 84.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -164.63 -178.32 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.502 ' N ' HG23 ' A' ' 55' ' ' THR . 0.3 OUTLIER -83.7 155.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.05 169.87 12.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 20.94 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.23 47.45 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.51 125.81 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.804 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 3.5 m80 -64.91 101.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.46 119.78 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -115.47 113.34 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.05 132.87 45.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -120.29 -162.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.96 70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.98 17.25 80.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.99 159.45 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -109.99 146.52 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 65' ' ' TYR . 10.0 t -136.83 148.8 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 56' ' ' VAL . 5.3 m -144.25 159.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.504 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.8 mt -143.71 132.82 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.53 158.5 14.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.75 13.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.6 m-85 -94.47 -27.2 16.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.3 m -89.61 -20.51 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.554 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 mmm -58.56 -49.6 92.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.97 2.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -19.8 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.78 HG12 ' CZ ' ' A' ' 48' ' ' TYR . 3.0 m -126.1 2.32 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' MET . 21.5 t-20 -53.41 153.16 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 40.01 50.08 3.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.147 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -153.99 154.91 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 1.4 mt-10 -109.43 160.01 16.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.659 ' HB2' HD12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -132.54 108.87 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.85 ' CG ' HG21 ' A' ' 13' ' ' THR . 3.0 t0 -95.25 122.04 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 75.8 t80 -85.04 128.05 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.2 m-85 -125.1 137.62 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.4 m -137.45 136.04 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.659 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -120.92 140.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -123.22 103.83 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -90.39 148.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE1' ' ND1' ' A' ' 61' ' ' HIS . 37.6 m-85 -81.46 160.86 23.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -86.21 117.28 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.613 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 2.5 t80 -159.68 113.12 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 1.7 mtmt -105.29 131.63 52.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -126.32 130.18 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.618 HG21 ' CG ' ' A' ' 86' ' ' ASP . 61.8 p -53.21 149.12 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.49 -26.33 42.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -40.56 96.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -64.41 -58.05 7.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.651 HG21 ' CD1' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -55.71 -51.31 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -51.75 -40.17 59.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 8.7 tp10 -58.95 -24.94 63.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.856 HG13 HD22 ' A' ' 34' ' ' LEU . 1.4 mm -84.26 -41.48 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -66.75 -42.54 86.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.6 75.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.74 -59.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.729 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -57.88 -35.24 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.98 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -86.36 -3.92 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -121.18 16.7 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 51.13 30.7 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.513 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 73.6 mt -91.69 140.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.26 7.81 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.3 66.16 6.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.729 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 131.08 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 54' ' ' ASP . 13.3 mt -102.2 104.43 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.856 HD22 HG13 ' A' ' 20' ' ' ILE . 40.4 tp -92.39 122.46 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 22.5 ptt85 -115.12 128.28 56.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.38 109.94 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 157.66 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.697 HG22 ' HE2' ' A' ' 48' ' ' TYR . 46.4 t -83.87 118.7 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 39' ' ' VAL . 27.6 m -135.56 88.53 24.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' PHE . 21.2 mp0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.697 ' HE2' HG22 ' A' ' 38' ' ' VAL . 20.4 m-85 -89.17 119.58 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 159.25 19.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.637 ' HE1' HD11 ' A' ' 20' ' ' ILE . 10.5 mtt -98.63 175.28 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.44 168.71 40.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -131.81 98.13 4.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' HB3' HG22 ' A' ' 55' ' ' THR . 1.1 m-20 -130.88 125.98 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.723 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -65.44 -46.34 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 53' ' ' ASP . 15.3 t -42.61 160.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.48 155.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.57 170.7 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.67 24.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.47 53.59 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' HB ' ' A' ' 71' ' ' VAL . 1.1 m-20 -97.41 143.48 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.63 ' ND1' ' CE1' ' A' ' 8' ' ' PHE . 7.9 m-70 -74.07 102.55 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -76.11 115.08 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 72' ' ' ILE . 3.2 m-85 -116.08 112.84 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.37 128.04 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.651 ' CD1' HG21 ' A' ' 17' ' ' VAL . 2.7 m-85 -122.57 -166.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.15 70.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.42 35.8 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 32' ' ' PRO . 47.2 t -145.63 145.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 146.08 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.675 HG22 ' HB3' ' A' ' 34' ' ' LEU . 2.6 t -132.69 158.28 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.2 m -144.87 110.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.666 HD12 ' CE1' ' A' ' 63' ' ' PHE . 4.1 mt -94.72 171.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.545 ' H ' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -101.91 160.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.19 15.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.448 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 6.1 m-85 -90.5 -8.51 50.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.763 ' O ' HG22 ' A' ' 80' ' ' VAL . 7.8 t -89.1 -25.8 21.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.498 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -57.42 -51.44 81.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.97 2.28 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.558 1.82 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -23.53 9.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 76' ' ' SER . 11.2 m -138.69 40.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -69.73 105.15 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.18 -4.75 61.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.28 169.78 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 2.2 pt-20 -126.96 139.64 52.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.55 107.43 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.618 ' CG ' HG21 ' A' ' 13' ' ' THR . 18.2 t0 -97.19 104.81 16.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.608 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 12.1 t80 -85.62 132.31 34.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -120.44 139.61 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 2.6 m -157.56 143.7 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.52 144.99 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 100.8 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -73.3 131.61 82.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -83.6 159.79 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.14 110.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CD1' HD13 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -159.1 145.06 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 5.2 mppt? -144.05 128.89 18.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.819 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -133.02 128.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.0 p -62.27 166.32 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -31.3 72.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -57.43 -44.41 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.49 37.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.819 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.9 t -55.69 -48.32 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.8 tm-20 -59.18 -45.06 92.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 3.6 tm-20 -46.0 -34.89 4.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.832 ' CG2' HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -79.59 -35.87 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.6 mmtp -56.66 -34.46 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -74.99 -42.22 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.97 -40.28 88.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -75.41 -41.03 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -45.56 74.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.37 -19.84 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.87 4.18 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 t30 60.55 32.64 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.451 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 85.3 mt -94.57 136.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -114.26 5.08 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -151.47 72.4 8.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.06 122.46 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 mt -103.52 96.28 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.832 HD11 ' CG2' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.7 137.27 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 33.4 ttp180 -108.11 152.6 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 48' ' ' TYR . 6.0 mm -88.75 128.63 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 120.84 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.664 HG21 ' CG ' ' A' ' 79' ' ' TYR . 82.1 t -76.84 125.4 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -100.38 136.35 20.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.905 ' CD2' HG11 ' A' ' 80' ' ' VAL . 51.9 p90 -81.2 115.96 20.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . . . -80.75 159.2 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.15 175.12 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.43 126.22 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 7.0 p90 -68.98 122.56 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -100.13 175.0 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -44.87 83.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 t -165.3 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.082 HG23 HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -81.25 155.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' NH1' ' A' ' 35' ' ' ARG . 18.8 mt-10 -79.26 170.98 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -85.33 23.73 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.4 55.22 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -123.24 136.01 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.786 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -65.13 97.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.69 115.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 8.4 t80 -116.32 120.49 39.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.5 126.58 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.755 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 4.3 m-85 -101.21 -168.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.526 ' HB3' HG11 ' A' ' 17' ' ' VAL . 2.4 t70 -67.38 70.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.9 34.08 35.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 67' ' ' GLY . 60.5 t -153.34 159.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -100.9 154.86 18.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.755 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 22.2 t -153.38 161.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.082 HG11 HG23 ' A' ' 56' ' ' VAL . 1.2 m -146.81 116.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.69 HD13 ' CD1' ' A' ' 10' ' ' PHE . 4.0 mt -94.42 138.94 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.67 159.03 80.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.48 12.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 7.4 m-85 -89.84 -29.48 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.459 ' OG ' HG23 ' A' ' 38' ' ' VAL . 23.2 t -88.32 -19.42 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.603 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.43 -52.13 76.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.0 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.664 ' CG ' HG21 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -97.97 -28.96 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.905 HG11 ' CD2' ' A' ' 48' ' ' TYR . 17.7 m -135.77 37.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -76.24 148.21 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.05 49.35 13.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.54 150.91 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.747 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 pt-20 -102.72 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 48' ' ' TYR . 1.3 tp -121.41 106.29 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.97 131.09 45.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 4.2 t80 -85.91 130.44 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' HB ' ' A' ' 97' ' ' THR . 52.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 49' ' ' ALA . 20.7 m-85 -112.49 145.66 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.609 ' HB ' HG23 ' A' ' 88' ' ' VAL . 3.1 m -145.62 143.64 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.484 HD11 ' CE2' ' A' ' 48' ' ' TYR . 49.3 mm -100.3 137.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.8 103.39 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.94 129.81 74.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.457 ' N ' ' HD1' ' A' ' 61' ' ' HIS . 45.7 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.5 p90 -100.84 138.88 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mm -86.97 109.79 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 27.7 t80 -160.5 137.34 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 23.4 mmtt -105.53 129.73 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -125.02 137.31 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 86' ' ' ASP . 6.6 p -57.94 170.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.37 -30.04 61.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -36.98 85.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.558 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -63.23 -55.17 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -57.71 -46.06 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.76 -31.33 72.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 3.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.69 HG23 ' HG ' ' A' ' 34' ' ' LEU . 2.2 mm -74.27 -33.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.31 -31.03 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -51.1 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.36 -30.78 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.96 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.0 -11.32 59.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.04 7.97 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.4 t30 44.55 40.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -99.66 127.11 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.29 7.42 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -151.24 66.18 7.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.96 120.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.97 96.1 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.69 ' HG ' HG23 ' A' ' 20' ' ' ILE . 1.6 mm? -95.34 139.55 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CG ' HG23 ' A' ' 71' ' ' VAL . 2.0 tmm_? -120.6 143.01 48.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 36' ' ' ILE . 18.6 mm -89.23 137.51 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -142.02 165.64 26.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.519 HG22 ' CE1' ' A' ' 48' ' ' TYR . 2.6 t -112.01 109.6 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 33.5 m -101.8 134.09 20.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 44.5 m-85 -81.7 126.63 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.68 159.04 16.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.498 ' HB2' HD12 ' A' ' 34' ' ' LEU . 17.5 ptp -100.61 173.78 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.449 ' C ' HD13 ' A' ' 34' ' ' LEU . . . -178.16 113.21 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 54.9 p90 -68.9 121.27 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.34 175.23 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -18.29 46.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -171.3 177.44 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.544 HG23 HG11 ' A' ' 71' ' ' VAL . 1.3 p -95.52 154.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.8 170.55 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.96 23.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.58 61.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.51 134.34 49.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.457 ' HD1' ' N ' ' A' ' 7' ' ' GLN . 98.5 m-70 -64.29 93.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.553 HG23 HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -81.78 134.08 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -116.59 133.62 55.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.29 122.69 33.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.657 ' CD1' HG21 ' A' ' 17' ' ' VAL . 4.7 m-85 -115.83 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.99 72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.31 22.02 79.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.4 155.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HG2' HG22 ' A' ' 62' ' ' VAL . 2.9 tttt -114.58 144.28 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -145.8 155.89 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG12 HG23 ' A' ' 62' ' ' VAL . 1.2 m -144.72 164.97 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.579 HD12 ' CD1' ' A' ' 8' ' ' PHE . 63.6 mt -146.7 117.11 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.3 m-20 -39.18 154.79 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.24 -27.73 21.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.453 ' OG ' HG23 ' A' ' 38' ' ' VAL . 68.0 m -88.77 -18.92 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.502 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.1 -51.14 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.96 1.8 7.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.22 -25.89 14.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.59 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 32.2 m -139.48 38.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 3.5 p30 -78.9 120.64 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.98 -32.58 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 177.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.941 ' O ' HG23 ' A' ' 98' ' ' ILE . 29.8 tt0 -134.29 132.36 39.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -110.34 113.87 26.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.588 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -97.02 100.72 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.591 ' OH ' ' CE2' ' A' ' 96' ' ' PHE . 6.0 t80 -85.53 122.57 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.3 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.591 ' CE2' ' OH ' ' A' ' 87' ' ' TYR . 25.0 m-85 -92.45 114.59 27.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 86' ' ' ASP . 7.4 t -145.78 138.27 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.941 HG23 ' O ' ' A' ' 84' ' ' GLU . 4.4 mp -120.86 138.0 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.51 104.47 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -53.07 153.85 5.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 6.4 tt0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 4.8 m-30 -87.65 160.93 17.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -83.23 112.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -157.21 149.4 22.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -137.35 146.2 44.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.774 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -129.72 134.56 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 13' ' ' THR . 49.5 p -54.27 154.53 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -39.58 75.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -61.42 -43.7 98.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.576 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -60.53 -46.83 88.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.847 HG22 ' CD2' ' A' ' 65' ' ' TYR . 1.2 t -66.8 -56.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -57.37 -24.62 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' C ' HD13 ' A' ' 20' ' ' ILE . 17.2 tp10 -67.88 -18.59 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.729 HG23 HD23 ' A' ' 34' ' ' LEU . 2.1 mm -85.5 -40.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 39.0 mtmt -62.37 -42.52 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -60.96 -26.56 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 52' ' ' PHE . 2.3 t -90.17 -33.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.24 -48.16 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.52 HE21 ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.79 -24.77 66.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.3 OUTLIER -80.48 -16.62 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -112.93 4.79 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 59.16 36.59 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.85 132.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.22 8.57 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -151.32 66.7 7.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.95 142.33 27.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.474 HG23 HG13 ' A' ' 71' ' ' VAL . 7.2 mt -124.66 100.42 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.729 HD23 HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -92.39 131.87 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HA ' HG22 ' A' ' 71' ' ' VAL . 3.6 ptt180 -110.1 146.54 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.662 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.5 mp -103.25 109.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.83 157.3 37.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.633 HG22 ' CE2' ' A' ' 48' ' ' TYR . 1.5 t -94.19 137.89 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.3 p -162.9 107.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 7.2 m-85 -98.77 125.02 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.527 ' CE ' HD11 ' A' ' 20' ' ' ILE . 12.6 mtt -91.01 174.62 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.3 129.24 1.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.448 ' CD2' HG11 ' A' ' 23' ' ' VAL . 7.5 p90 -108.08 108.48 19.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -107.5 175.12 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 55' ' ' THR . 57.4 m-20 -128.06 59.98 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 8.2 t -176.2 150.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.05 155.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.74 170.6 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -82.05 42.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.26 72.48 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -120.79 141.71 50.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 0.716 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.838 ' CD2' HD12 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -65.38 94.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.589 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.26 108.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.662 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -116.66 120.99 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.31 125.05 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.968 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.8 m-30 -105.5 -168.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.92 70.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 77.18 34.72 40.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 32' ' ' PRO . 41.7 t -151.92 157.02 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 149.23 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.968 HG21 ' CE2' ' A' ' 65' ' ' TYR . 2.4 t -138.46 161.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.4 m -145.44 160.22 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 61' ' ' HIS . 3.1 mt -149.2 165.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.07 158.62 33.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.59 13.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.484 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -90.14 -14.39 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 1.029 ' O ' HG22 ' A' ' 80' ' ' VAL . 74.9 m -89.55 -20.45 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.8 -48.97 96.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.96 1.69 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -5.61 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.029 HG22 ' O ' ' A' ' 76' ' ' SER . 31.1 m -143.07 34.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 2.3 p30 -54.26 122.18 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.74 28.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . . . -76.06 178.52 6.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -141.25 106.25 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 97' ' ' THR . 1.8 tp -73.1 107.3 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' A' ' 97' ' ' THR . 0.7 OUTLIER -97.35 139.01 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 4.7 t80 -85.93 122.79 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.7 p90 -129.77 107.05 9.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.842 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.12 152.62 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.413 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 85' ' ' LEU . 4.6 tp -129.9 124.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.81 97.16 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.78 154.89 61.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.563 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 33.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 2.9 m-30 -106.06 159.98 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.15 113.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -159.06 129.99 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -134.58 126.15 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.773 HG22 ' CB ' ' A' ' 16' ' ' ALA . 3.3 p -105.41 149.4 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 p -63.73 143.91 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -33.3 20.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . 4.8 tptt -64.88 -43.91 91.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.773 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -54.79 -45.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 65' ' ' TYR . 1.6 t -73.75 -48.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.06 -23.19 61.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' LYS . 17.8 tp10 -68.45 -76.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 34' ' ' LEU . 2.1 mp -48.06 -23.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -53.44 -38.76 63.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -75.55 -42.69 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.78 -36.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -71.75 -39.65 69.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -36.62 83.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -8.03 51.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -112.18 10.92 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.8 t30 54.76 33.59 19.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -99.63 148.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -127.93 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.92 66.81 7.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.96 142.14 27.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.442 HG23 HG13 ' A' ' 71' ' ' VAL . 63.2 mt -124.74 97.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.56 129.69 37.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -109.01 133.78 52.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' ' CG1' ' A' ' 70' ' ' VAL . 4.0 mp -88.61 108.67 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 156.71 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' CD2' ' A' ' 79' ' ' TYR . 43.9 t -80.9 134.25 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.0 85.63 57.63 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 20.0 m-85 -84.81 105.2 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.11 159.05 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.57 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -94.27 175.39 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.86 113.61 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.715 ' HA ' HD13 ' A' ' 34' ' ' LEU . 11.0 p90 -68.92 125.14 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.0 175.34 6.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.4 p30 -148.13 64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 10.0 t -175.66 149.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.95 155.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 3.1 mm-40 -108.58 170.18 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -84.7 38.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.83 58.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -116.14 137.73 51.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.693 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 1.1 t60 -65.04 121.18 14.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.688 HG22 ' HE3' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -95.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -118.27 111.91 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.92 124.18 27.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.662 ' CE2' HG12 ' A' ' 12' ' ' VAL . 3.1 m-85 -111.74 -165.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.25 69.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 85.86 -20.12 21.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG13 ' HG2' ' A' ' 32' ' ' PRO . 19.9 t -96.86 171.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.688 ' HE3' HG22 ' A' ' 62' ' ' VAL . 14.8 tttt -137.91 150.28 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 34' ' ' LEU . 9.9 t -131.49 152.37 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.7 m -144.32 110.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 mt -93.37 158.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.41 159.51 50.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.28 13.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 11.9 m-85 -88.91 -23.47 22.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 80' ' ' VAL . 39.9 t -89.26 -18.37 27.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.03 -49.5 92.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.578 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -106.52 -23.18 12.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.658 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 34.6 m -135.1 43.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -82.54 142.8 31.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 45.05 55.54 6.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.55 169.61 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -125.38 150.27 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.534 ' HA ' HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -107.47 108.93 20.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 97' ' ' THR . 36.9 t0 -95.18 104.77 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -85.46 118.68 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 95' ' ' GLY . 17.5 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.42 138.06 51.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 1.2 m -157.33 134.14 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 85' ' ' LEU . 27.1 mm -111.73 129.61 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 116.64 32.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -119.36 119.08 32.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.7 ' CD1' ' HE1' ' A' ' 77' ' ' MET . 8.3 t80 -74.41 161.98 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' ' CZ ' ' A' ' 8' ' ' PHE . 10.6 mm -79.46 109.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 26.6 t80 -159.37 135.24 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -137.02 111.48 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -108.76 137.63 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -57.99 168.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.69 90.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.713 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -61.56 -51.98 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.652 HG23 ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -61.02 -55.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 17' ' ' VAL . 2.3 tt0 -51.56 -26.67 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.571 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 11.5 tp10 -58.98 -37.7 77.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.052 ' CG1' HD13 ' A' ' 34' ' ' LEU . 2.5 mp -74.05 -35.69 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -58.34 -44.12 88.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -48.92 34.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.74 -40.4 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -73.07 -39.54 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.01 -39.48 74.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -4.59 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -116.82 5.06 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t30 54.47 34.98 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -99.18 141.93 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -118.76 6.43 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -151.34 66.35 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.452 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.98 161.26 39.11 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.76 114.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.052 HD13 ' CG1' ' A' ' 20' ' ' ILE . 9.1 tp -92.38 130.84 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HA ' HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -120.01 139.68 52.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.972 HG21 HG21 ' A' ' 80' ' ' VAL . 8.2 mm -92.45 111.7 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -128.57 134.98 48.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.489 HG21 ' CD2' ' A' ' 79' ' ' TYR . 2.3 t -78.68 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -151.93 125.84 4.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.868 ' CE2' HG12 ' A' ' 80' ' ' VAL . 2.6 m-85 -78.65 137.17 37.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.73 158.5 25.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.755 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -136.68 145.26 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.18 172.93 45.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 41.8 p90 -77.95 127.3 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.94 173.61 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -34.61 28.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -166.09 173.15 10.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.746 HG23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -91.12 155.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.33 170.17 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -87.33 21.77 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.59 52.05 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -111.81 168.54 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.9 95.94 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.04 116.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -115.23 112.74 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -73.07 134.57 44.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.88 -155.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -66.11 71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 64.86 39.12 96.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 67' ' ' GLY . 49.0 t -152.43 144.62 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.57 129.16 56.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 71' ' ' VAL . 54.0 t -102.9 161.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -144.74 156.94 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.895 HG23 ' HB ' ' A' ' 36' ' ' ILE . 7.2 mt -144.12 105.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.1 m-20 -39.21 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 18.5 Cg_endo -74.96 -20.9 16.5 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.415 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -84.99 -28.5 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' VAL . 10.9 p -88.44 -17.61 30.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.7 ' HE1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.75 -51.45 80.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.044 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -75.05 1.56 7.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -112.27 -11.08 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.972 HG21 HG21 ' A' ' 36' ' ' ILE . 4.4 m -143.63 48.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 5.8 p-10 -91.78 139.23 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.2 57.26 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.74 175.99 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 98' ' ' ILE . 6.8 pt-20 -132.18 173.63 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.548 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -133.88 107.71 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 97' ' ' THR . 45.9 t0 -96.62 133.9 40.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 40.5 t80 -85.63 99.87 11.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 97' ' ' THR . 15.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.69 106.63 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.637 HG21 HG21 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -144.19 139.52 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 84' ' ' GLU . 3.5 mp -131.67 142.9 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.04 124.95 40.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -99.49 140.65 21.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 3.1 pt20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 2.1 m-85 -120.15 159.7 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mm -85.11 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -154.74 112.77 3.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -106.12 117.49 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.633 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.83 136.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -58.56 171.6 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.92 -27.76 57.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -42.75 92.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 87' ' ' TYR . . . -64.41 -50.27 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.633 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.1 t -55.68 -48.93 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.67 -40.3 94.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 15.9 tp10 -54.22 -30.39 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.799 HG23 ' HG ' ' A' ' 34' ' ' LEU . 3.0 mm -67.59 -36.33 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -27.22 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -30.67 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.74 -32.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.15 -42.59 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -54.42 -24.98 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -2.49 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.0 2.3 8.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.6 t30 54.29 38.3 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 31' ' ' ASN . 71.2 mt -99.69 127.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 7.66 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.478 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.1 p-10 -151.12 66.79 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -74.99 115.13 4.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 91.4 mt -100.82 97.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.799 ' HG ' HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.58 137.3 32.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -117.75 140.41 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.906 ' HB ' HG23 ' A' ' 72' ' ' ILE . 6.5 mm -89.45 139.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.8 144.74 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.768 HG22 ' HE1' ' A' ' 48' ' ' TYR . 21.7 t -82.15 115.12 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.0 p -130.02 83.59 63.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.54 1.811 . . . . 0.0 111.002 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.494 ' OE1' ' CG2' ' A' ' 98' ' ' ILE . 10.6 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.768 ' HE1' HG22 ' A' ' 38' ' ' VAL . 25.9 m-85 -78.16 117.79 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.36 21.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.595 ' SD ' HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -96.16 167.07 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.24 117.64 0.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 37.0 p90 -70.07 128.91 37.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.62 175.37 6.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -100.28 -9.11 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 56' ' ' VAL . 1.8 m -165.67 168.27 16.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER -95.03 155.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.14 170.71 12.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 24.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.3 59.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -122.5 148.78 44.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.804 ' HB3' HD12 ' A' ' 72' ' ' ILE . 1.5 t60 -66.14 72.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.6 p -76.31 98.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -116.1 143.86 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 11.9 mt-10 -87.87 139.2 30.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 63' ' ' PHE . 49.4 m-85 -129.63 -160.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -64.99 71.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 70.31 16.13 73.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 32' ' ' PRO . 59.5 t -131.89 163.46 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HD2' HG22 ' A' ' 62' ' ' VAL . 1.3 mmtp -128.02 142.88 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 65' ' ' TYR . 14.0 t -132.8 152.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 3.6 m -145.16 158.65 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.906 HG23 ' HB ' ' A' ' 36' ' ' ILE . 1.3 mp -140.79 122.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -39.47 157.88 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.95 15.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 5.9 m-85 -86.44 -25.11 25.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.789 ' O ' HG22 ' A' ' 80' ' ' VAL . 8.5 m -89.13 -18.64 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.28 -49.43 93.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.03 2.61 6.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -18.42 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 76' ' ' SER . 26.2 m -137.62 34.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.72 113.0 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 -7.7 60.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.693 ' HB1' HD11 ' A' ' 98' ' ' ILE . . . -70.12 158.44 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -115.2 121.5 43.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.595 HD21 ' SD ' ' A' ' 50' ' ' MET . 1.2 tp -89.08 106.91 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.2 98.52 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 96' ' ' PHE . 0.8 OUTLIER -86.06 129.23 34.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.584 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 8.0 p90 -72.78 138.11 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.8 m -159.29 154.12 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.693 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -136.46 134.15 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -107.19 113.28 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.79 144.3 29.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.622 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 2.0 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 9.2 m-85 -74.86 160.47 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mm -74.71 116.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -159.56 129.31 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -133.16 121.38 22.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.686 HG22 ' CB ' ' A' ' 16' ' ' ALA . 1.8 p -110.85 144.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 16' ' ' ALA . 17.0 p -58.64 136.55 57.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.469 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -43.95 88.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.686 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -55.8 -46.41 78.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.595 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.2 t -68.16 -44.46 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.62 -33.89 68.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 28.8 tp10 -57.08 -31.96 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 3.3 mp -73.28 -38.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mppp? -50.75 -41.26 56.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.15 -51.38 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.64 -38.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.422 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.85 -42.46 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.94 -43.99 63.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -6.95 44.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -119.38 4.25 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' ALA . 45.6 t30 50.33 42.26 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.9 mt -99.39 139.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.73 4.25 16.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -151.26 65.33 6.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.533 ' O ' HG12 ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.01 116.26 4.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.81 95.39 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' CG1' ' A' ' 20' ' ' ILE . 3.3 mm? -92.16 141.34 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 25.5 ptt-85 -108.01 144.71 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.973 HG22 HG23 ' A' ' 72' ' ' ILE . 1.3 mp -104.39 117.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -143.69 169.71 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.834 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 23.4 t -79.85 147.8 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 48' ' ' TYR . 67.5 t -109.59 100.68 43.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.834 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 7.9 m-85 -79.0 148.44 32.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.62 148.83 47.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.594 ' SD ' ' CE2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -102.81 169.24 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' HD12 ' A' ' 34' ' ' LEU . . . 178.35 121.13 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 24.4 p90 -68.52 117.5 10.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.42 175.09 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.51 -52.17 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 56' ' ' VAL . 1.5 t -165.03 -177.65 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.789 HG23 HG11 ' A' ' 71' ' ' VAL . 8.8 p -77.28 156.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.39 171.0 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -82.94 18.95 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.54 57.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.78 165.23 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.796 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -76.77 98.44 4.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -76.58 100.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.11 111.68 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.4 126.45 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 67' ' ' GLY . 4.1 m-85 -112.32 -163.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -64.27 70.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 88.88 -29.24 5.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 32' ' ' PRO . 1.8 t -95.4 173.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.514 ' H ' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -141.75 147.73 37.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 70.6 t -124.36 160.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.789 HG11 HG23 ' A' ' 56' ' ' VAL . 1.4 m -145.82 110.79 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.973 HG23 HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -94.9 152.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.47 156.72 86.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -24.52 12.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.3 t80 -90.77 -30.46 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -89.05 -19.88 25.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.579 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 3.4 mmm -57.96 -50.09 90.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.96 1.72 7.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 -17.83 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -135.69 34.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.9 t-20 -45.62 129.02 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.54 26.38 0.39 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.53 155.33 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -113.52 106.9 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.638 ' HB2' HD12 ' A' ' 98' ' ' ILE . 1.6 tp -85.12 106.53 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 97' ' ' THR . 10.5 t0 -98.38 105.79 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' SD ' ' A' ' 50' ' ' MET . 11.9 t80 -86.2 111.92 20.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.5 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.73 142.11 34.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -150.11 129.17 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.638 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -131.82 126.05 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.42 129.66 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -138.08 140.25 28.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.657 ' CG ' HD13 ' A' ' 72' ' ' ILE . 16.5 t80 -87.31 124.49 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mm -84.74 109.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 13.7 t80 -159.57 148.8 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -131.45 108.98 9.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.929 HG12 ' OH ' ' A' ' 65' ' ' TYR . 2.1 p -113.66 147.78 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -63.79 143.5 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.83 -26.86 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -65.07 -39.01 92.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.655 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -67.78 -50.34 57.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.823 HG21 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -64.86 -54.27 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 17' ' ' VAL . 11.4 tm-20 -52.19 -30.94 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -66.62 -33.57 75.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.972 HG13 HD22 ' A' ' 34' ' ' LEU . 2.0 mm -70.46 -29.49 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -77.71 -35.11 52.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.73 -51.17 24.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.628 HG12 ' CE2' ' A' ' 52' ' ' PHE . 13.7 t -55.13 -37.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.23 -45.33 40.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -55.87 -32.18 63.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -3.8 54.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -124.08 10.42 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.2 t30 54.52 34.56 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.28 125.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -105.09 8.45 34.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -149.7 66.62 8.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -75.01 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.5 mt -89.44 104.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.972 HD22 HG13 ' A' ' 20' ' ' ILE . 14.2 tp -90.68 112.19 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -107.51 134.67 50.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 mp -90.0 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.52 127.85 47.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.766 HG22 ' HE2' ' A' ' 48' ' ' TYR . 3.3 t -65.62 108.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.4 p -106.19 114.6 62.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.766 ' HE2' HG22 ' A' ' 38' ' ' VAL . 49.0 m-85 -115.52 123.43 48.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.58 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.78 159.04 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -117.31 153.89 32.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.64 178.5 48.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.628 ' CE2' HG12 ' A' ' 23' ' ' VAL . 17.9 m-30 -109.67 96.39 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.82 153.86 15.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.36 89.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -52.85 -173.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.54 ' N ' HG23 ' A' ' 55' ' ' THR . 1.2 t -76.18 153.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -115.78 171.05 8.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -84.05 21.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.79 45.27 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.28 131.13 56.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.03 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.96 HG23 HG12 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -76.49 123.19 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.627 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.51 137.74 52.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.1 145.98 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.929 ' OH ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -137.51 -157.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 73.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 59.08 45.09 95.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.3 t -151.28 150.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 139.56 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 34' ' ' LEU . 12.5 t -139.66 142.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.96 HG12 HG23 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -145.47 156.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.657 HD13 ' CG ' ' A' ' 8' ' ' PHE . 4.6 mp -142.06 138.6 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -60.29 160.48 17.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -83.77 -22.48 31.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -89.2 -18.0 27.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.9 -49.35 93.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.92 3.14 5.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.425 ' CD1' ' OH ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -101.19 -41.55 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.584 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 12.2 m -123.96 50.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -92.1 131.84 37.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.56 62.34 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.33 -179.12 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -136.32 153.23 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -136.33 118.73 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -95.87 112.39 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 30.5 t80 -85.49 124.5 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' GLY . 54.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -93.14 114.04 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.562 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.6 m -122.8 126.2 46.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.605 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -110.26 129.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.96 136.25 44.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -129.23 128.35 23.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.8 ' HZ ' HG23 ' A' ' 80' ' ' VAL . 2.6 t80 -94.4 125.46 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mm -85.85 110.24 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 25.7 t80 -155.9 151.3 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -132.43 109.56 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.567 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -111.38 147.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.88 177.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.43 -21.92 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -47.29 76.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -59.31 -56.44 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.803 HG22 ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -55.06 -44.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.0 -40.05 83.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' OE2' ' CE2' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -56.21 -46.99 79.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.741 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.4 mm -55.21 -38.6 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 21.4 mttt -64.95 -40.88 95.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -53.45 -50.53 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.0 -24.03 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -75.39 -51.74 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -36.17 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -6.79 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -138.1 15.58 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ALA . 16.7 t30 41.59 45.02 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 2.9 mt -96.87 107.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.08 4.99 17.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.8 68.73 8.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.0 115.73 4.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.425 ' CG1' ' HB2' ' A' ' 69' ' ' LYS . 25.3 mt -101.03 95.79 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -101.29 152.64 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' N ' HD22 ' A' ' 34' ' ' LEU . 20.0 ptt180 -125.67 143.94 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.659 ' CG2' HG23 ' A' ' 72' ' ' ILE . 5.8 tp -90.34 145.3 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -141.18 163.26 33.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.648 HG22 ' CE2' ' A' ' 48' ' ' TYR . 2.1 t -102.02 130.56 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.59 92.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 96' ' ' PHE . 23.2 mp0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.648 ' CE2' HG22 ' A' ' 38' ' ' VAL . 7.0 m-85 -104.61 135.41 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.7 159.75 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.633 ' CE ' ' HB1' ' A' ' 16' ' ' ALA . 1.4 mtt -113.3 157.04 22.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.41 131.25 1.53 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 29' ' ' ILE . 9.1 t80 -68.55 128.37 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.793 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 7.4 t70 -88.66 175.22 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.65 -40.97 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 56' ' ' VAL . 1.1 t -164.78 -177.57 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' THR . 1.0 OUTLIER -83.3 156.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.83 169.99 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -87.35 23.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.96 63.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 135.98 38.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -67.39 90.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.758 HG23 HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -76.59 117.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -115.52 117.48 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.75 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.825 ' CE2' HG21 ' A' ' 70' ' ' VAL . 1.1 m-30 -119.14 -165.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.23 70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.71 20.4 71.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 69' ' ' LYS . 64.2 t -138.61 165.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' HG12 ' A' ' 68' ' ' VAL . 2.5 mttt -110.93 148.1 33.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.83 HG22 HD11 ' A' ' 34' ' ' LEU . 91.6 t -142.17 150.87 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.758 HG12 HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -146.87 155.22 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.659 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.1 mp -143.12 140.05 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.12 163.05 8.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.47 8.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.433 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -80.54 -20.33 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.567 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.7 t -88.6 -18.03 28.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.612 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.79 -50.57 86.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.0 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.63 -36.03 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG23 ' HZ ' ' A' ' 8' ' ' PHE . 30.9 m -126.41 50.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -97.29 134.55 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.28 62.54 4.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 -179.98 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -136.19 143.98 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -128.94 116.66 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.499 ' OD2' ' CG2' ' A' ' 97' ' ' THR . 2.9 p-10 -95.97 105.75 17.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 50' ' ' MET . 1.1 t80 -85.49 124.66 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' GLY . 25.5 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 47' ' ' GLN . 3.1 p90 -81.3 143.83 31.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.499 ' CG2' ' OD2' ' A' ' 86' ' ' ASP . 1.3 m -159.53 138.29 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.437 HD11 ' HD1' ' A' ' 48' ' ' TYR . 6.5 mt -122.88 139.56 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -126.97 97.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.53 137.71 76.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 5.7 p90 -106.77 141.07 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mm -86.87 107.8 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -161.85 152.68 17.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 12.6 mtmt -123.84 135.78 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.576 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -133.52 134.92 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.603 HG21 ' CG ' ' A' ' 86' ' ' ASP . 40.6 p -58.6 172.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.1 m-20 -75.88 -26.34 56.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -65.01 -46.59 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -59.39 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 65' ' ' TYR . 1.4 t -55.14 -48.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 63.8 mt-10 -51.09 -51.35 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE1' ' CE2' ' A' ' 87' ' ' TYR . 1.3 tt0 -45.6 -49.44 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.635 HG12 HD13 ' A' ' 34' ' ' LEU . 1.2 mp -66.66 -41.71 88.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.685 ' HG3' HG21 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -59.29 -44.22 92.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -48.15 42.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 52' ' ' PHE . 2.5 t -50.81 -56.27 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -60.29 -43.25 96.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.96 -35.06 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.38 -6.77 54.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -116.74 8.69 13.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 62.64 33.43 15.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.583 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 95.4 mt -99.44 145.31 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.13 6.56 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.29 66.87 7.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.586 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 160.21 40.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.4 113.55 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.988 ' HB3' HG22 ' A' ' 70' ' ' VAL . 38.1 tp -92.59 114.52 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -109.83 117.93 35.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.76 112.59 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.76 154.41 30.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.807 HG22 ' CE2' ' A' ' 48' ' ' TYR . 92.3 t -85.28 132.95 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.5 t -116.94 84.95 16.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' HG22 ' A' ' 98' ' ' ILE . 9.4 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.807 ' CE2' HG22 ' A' ' 38' ' ' VAL . 56.6 m-85 -94.37 118.58 31.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -82.01 158.92 23.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.717 ' SD ' HD11 ' A' ' 34' ' ' LEU . 1.4 mmm -107.97 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.32 -172.47 44.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.631 ' CD1' HG11 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -137.45 123.64 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -114.68 174.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.12 44.26 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 t -164.86 152.49 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.45 154.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -98.81 170.66 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 45.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 66.85 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -125.66 126.11 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 8' ' ' PHE . 96.7 m-70 -64.08 104.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.0 128.44 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.631 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -118.31 134.67 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -91.81 106.74 18.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.64 ' CE1' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -99.52 -160.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.88 70.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.57 33.7 60.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.685 HG21 ' HG3' ' A' ' 21' ' ' LYS . 41.7 t -147.87 157.68 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -119.19 143.1 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 34' ' ' LEU . 12.4 t -129.96 149.19 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.2 m -145.34 151.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ASP . 12.0 mt -145.6 120.66 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ILE . 3.0 m-20 -39.48 158.43 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.51 16.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -88.29 -29.99 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.758 ' O ' HG22 ' A' ' 80' ' ' VAL . 79.8 p -89.26 -18.67 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.514 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -56.59 -49.7 92.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.6 Cg_endo -74.95 1.18 7.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 75' ' ' PHE . 12.9 m-85 -107.61 -19.98 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 76' ' ' SER . 30.3 m -135.74 47.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -100.69 140.22 35.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.11 60.88 5.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.18 158.31 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.95 134.24 44.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 0.8 OUTLIER -120.68 106.8 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.603 ' CG ' HG21 ' A' ' 13' ' ' THR . 1.7 t0 -97.92 101.34 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.709 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 3.8 t80 -85.28 110.93 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 9.5 m-85 -76.68 120.74 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 127.6 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.431 HG22 ' OE1' ' A' ' 47' ' ' GLN . 1.5 tt -126.41 123.24 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.78 129.77 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.97 146.77 52.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 15.3 p90 -120.72 124.77 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.91 135.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -159.63 127.75 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -93.08 114.7 27.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.486 HG11 HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -131.45 125.55 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 p -58.69 151.06 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.61 -28.05 43.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -39.51 94.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -66.43 -58.2 5.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG21 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -54.59 -46.93 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -57.01 -40.51 76.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -47.26 -32.99 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.976 HG13 HD22 ' A' ' 34' ' ' LEU . 2.4 mp -76.55 -42.68 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -51.54 -38.54 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -48.01 21.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.6 t -57.67 -39.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.29 -41.03 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.91 -47.11 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.73 -13.28 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 23' ' ' VAL . 83.4 m-20 -109.84 -0.4 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.8 t30 52.37 41.54 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.746 HG22 ' H ' ' A' ' 31' ' ' ASN . 59.4 mt -99.93 144.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.77 4.25 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.746 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -151.72 66.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 118.24 5.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mt -105.53 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.976 HD22 HG13 ' A' ' 20' ' ' ILE . 2.3 mp -98.51 142.5 30.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 20.3 ttp180 -107.98 146.86 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -114.92 110.77 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 171.45 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG22 ' CE2' ' A' ' 48' ' ' TYR . 3.2 t -80.65 125.65 39.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -126.52 124.9 24.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 96' ' ' PHE . 1.2 pp0? . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 98' ' ' ILE . 10.2 m-85 -114.75 116.16 28.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.09 159.21 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.933 ' HB2' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.47 161.81 26.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . -177.4 134.52 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 33.6 p90 -68.78 125.11 25.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASP . 16.6 t0 -106.71 175.14 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.4 p-10 -39.68 -52.31 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.7 t -174.41 -176.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.778 HG23 HG11 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -76.81 155.73 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -81.26 171.04 15.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.95 23.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.87 56.01 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -120.39 134.73 55.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.604 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 2.8 m-70 -62.94 85.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.895 HG23 HG12 ' A' ' 71' ' ' VAL . 2.5 p -89.11 134.94 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.629 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.52 152.69 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -98.16 118.41 34.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -107.99 -164.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.75 70.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.81 -4.57 60.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 69' ' ' LYS . 58.6 t -106.85 163.71 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' N ' HG12 ' A' ' 68' ' ' VAL . 1.4 mttp -124.83 148.8 48.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 25.5 t -146.62 159.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.895 HG12 HG23 ' A' ' 62' ' ' VAL . 1.5 m -144.43 159.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 8' ' ' PHE . 8.9 mt -147.51 129.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.09 153.57 0.51 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -90.42 -29.48 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -89.85 -19.37 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.537 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 4.0 mmm -57.5 -48.77 96.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.97 1.6 7.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' C ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -102.21 -0.94 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 4.4 m -151.77 22.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -44.72 124.65 4.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 43.19 28.72 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.44 162.67 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -110.13 104.8 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.725 ' HB2' HD12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -104.42 108.05 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -96.81 100.78 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 50' ' ' MET . 1.4 t80 -85.23 127.18 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD2' ' NE2' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -129.06 128.39 43.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.3 m -149.83 119.25 6.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.725 HD12 ' HB2' ' A' ' 85' ' ' LEU . 3.1 tt -121.12 143.03 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 127.64 45.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -98.19 141.76 23.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 7.7 pt20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.584 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -100.67 150.6 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.71 HG23 ' H ' ' A' ' 82' ' ' GLY . 0.6 OUTLIER -82.55 131.79 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.469 ' CG ' HD11 ' A' ' 72' ' ' ILE . 18.9 t80 -159.46 139.16 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -135.07 115.77 13.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.7 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -121.95 139.62 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.413 HG21 ' CG ' ' A' ' 86' ' ' ASP . 35.6 p -62.29 155.2 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.77 -32.16 69.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -65.17 -42.08 94.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.7 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -66.22 -50.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.47 -46.62 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.1 tp10 -49.36 -33.29 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.806 HG13 HD22 ' A' ' 34' ' ' LEU . 1.4 mm -70.83 -45.23 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -65.41 -34.76 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -76.15 -34.69 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -72.44 -49.41 33.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -18.13 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.57 -10.72 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -120.56 0.76 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.09 43.1 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.659 HG22 ' H ' ' A' ' 31' ' ' ASN . 18.7 mt -99.43 139.62 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.28 4.88 18.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.659 ' H ' HG22 ' A' ' 29' ' ' ILE . 16.4 m-80 -151.71 65.65 6.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.02 123.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 HG13 ' A' ' 71' ' ' VAL . 2.2 mt -98.1 101.02 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD22 HG13 ' A' ' 20' ' ' ILE . 1.7 tp -90.74 114.62 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 2.9 ptm180 -102.05 122.31 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.617 HG23 ' CD2' ' A' ' 48' ' ' TYR . 1.6 mp -89.01 108.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.95 155.0 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.749 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 95.0 t -76.78 156.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 49' ' ' ALA . 95.4 t -129.29 131.63 23.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.749 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 9.7 m-85 -83.34 145.33 29.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' A' ' 39' ' ' VAL . . . -91.53 159.31 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.556 ' HG2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -108.1 146.84 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.67 174.8 47.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -117.88 125.66 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.958 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.92 175.87 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -32.75 18.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -165.92 172.06 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.653 HG22 HG11 ' A' ' 71' ' ' VAL . 1.4 t -80.65 155.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' CD ' ' OD2' ' A' ' 60' ' ' ASP . 18.7 mt-10 -85.39 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.9 28.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -116.86 166.66 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.761 ' CE1' ' CD1' ' A' ' 63' ' ' PHE . 21.4 t60 -78.46 116.85 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 62' ' ' VAL . 1.2 t -94.96 98.97 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.761 ' CD1' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -116.9 110.34 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.76 124.46 27.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CD1' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -109.25 -167.2 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.13 70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.29 29.81 52.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 69' ' ' LYS . 65.8 t -148.64 160.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 68' ' ' VAL . 2.3 ttmt -124.52 156.76 36.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' CG2' HD23 ' A' ' 34' ' ' LEU . 2.9 t -140.03 156.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG11 HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -146.34 111.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.7 mt -95.49 161.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 77' ' ' MET . 62.9 m-20 -78.11 149.25 76.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -22.89 14.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.537 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -94.96 -24.88 16.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 38' ' ' VAL . 1.3 m -91.4 -26.69 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.589 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 8.9 mmm -58.18 -45.5 99.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.06 2.79 6.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 -20.64 16.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 80' ' ' VAL . 2.5 m -141.76 43.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 3.9 p30 -47.85 137.37 9.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 36.99 32.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.76 -179.02 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -131.22 110.03 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.619 HD13 HD11 ' A' ' 98' ' ' ILE . 1.1 tp -95.23 106.21 18.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 97' ' ' THR . 6.9 t0 -98.7 102.24 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 18.4 t80 -85.8 125.32 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 5.9 m-85 -128.07 116.76 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -137.82 127.19 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.619 HD11 HD13 ' A' ' 85' ' ' LEU . 48.9 mm -116.31 123.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 99.65 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -69.64 154.74 94.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.482 ' HA ' ' ND1' ' A' ' 61' ' ' HIS . 4.9 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -73.23 160.03 32.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mm -81.84 114.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 83' ' ' ALA . 35.6 t80 -157.03 131.75 8.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.56 124.38 41.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.856 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -105.01 137.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 p -55.2 147.89 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.428 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -32.89 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.64 94.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.64 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -48.89 69.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.856 HG23 ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -65.66 -53.01 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' HG12 ' A' ' 17' ' ' VAL . 31.6 tt0 -52.98 -32.66 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.781 ' OE2' HG23 ' A' ' 23' ' ' VAL . 8.0 tp10 -64.33 -36.09 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.695 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.8 mm -67.66 -33.09 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -70.54 -40.42 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -51.08 43.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.781 HG23 ' OE2' ' A' ' 19' ' ' GLU . 2.6 t -52.84 -40.96 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -71.87 -39.95 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -20.16 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.235 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.82 -18.66 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -108.22 13.22 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 55.3 32.32 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -99.41 148.44 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -127.94 7.5 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.45 66.08 6.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.631 ' HB2' HG22 ' A' ' 20' ' ' ILE . 18.2 Cg_endo -75.04 139.58 24.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.442 HG23 HG13 ' A' ' 71' ' ' VAL . 3.5 mt -104.47 112.98 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.998 ' HB3' HG22 ' A' ' 70' ' ' VAL . 54.4 tp -92.92 112.3 24.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -103.31 126.52 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.6 116.06 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.36 154.75 45.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -96.81 120.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG23 ' HD2' ' A' ' 40' ' ' PRO . 7.1 p -143.8 141.39 18.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 39' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HB3' HD12 ' A' ' 98' ' ' ILE . 9.3 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.603 ' H ' HD13 ' A' ' 98' ' ' ILE . 29.4 m-85 -78.8 118.48 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -80.84 159.06 25.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.895 ' HG2' HD11 ' A' ' 34' ' ' LEU . 7.5 mtp -107.11 174.92 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.86 -171.86 40.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.34 127.79 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.04 174.96 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -136.22 65.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -179.66 168.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' N ' HG23 ' A' ' 55' ' ' THR . 1.2 t -134.5 155.93 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.48 170.52 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.85 24.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.25 66.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' VAL . 3.5 t0 -123.26 145.08 48.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.948 ' CD2' HD12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -65.8 74.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.583 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.4 p -75.43 107.73 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -115.94 144.2 44.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -87.73 140.28 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' GLY . 9.2 m-85 -128.64 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -66.48 70.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 69.39 39.39 80.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -150.22 152.04 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.06 143.05 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.998 HG22 ' HB3' ' A' ' 34' ' ' LEU . 5.8 t -138.23 154.96 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.442 HG13 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -144.54 150.71 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.948 HD12 ' CD2' ' A' ' 61' ' ' HIS . 11.0 mt -144.21 145.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.75 164.31 51.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.43 14.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -80.99 -14.31 58.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.643 ' O ' HG22 ' A' ' 80' ' ' VAL . 20.4 m -88.85 -19.66 25.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.592 ' HG2' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.36 -51.2 83.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.04 3.33 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE2' HG11 ' A' ' 38' ' ' VAL . 2.1 m-85 -113.16 -27.83 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 76' ' ' SER . 6.4 m -131.77 46.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 9.5 p-10 -61.02 101.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.18 11.27 31.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.535 ' O ' ' CD1' ' A' ' 10' ' ' PHE . . . -75.59 155.11 36.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -113.2 144.33 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD21 ' SD ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -104.29 107.72 18.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -96.51 99.05 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 53.3 t80 -85.22 115.54 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 96' ' ' PHE . 26.9 p90 -72.87 117.65 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -124.47 148.03 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 84' ' ' GLU . 4.8 mp -139.09 145.94 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -122.88 152.04 41.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -132.48 128.16 20.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -72.32 156.23 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -85.54 138.78 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 7.9 t80 -158.94 146.34 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -133.53 116.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.647 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -130.41 132.45 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.4 168.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -27.2 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.4 79.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.647 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -59.65 -50.33 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -60.81 -44.48 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.72 -41.91 87.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.0 tp10 -53.43 -28.01 27.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.78 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.1 mm -79.71 -36.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -53.65 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.6 -37.64 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 19' ' ' GLU . 14.5 t -67.58 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -52.77 -50.86 62.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -38.1 15.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.27 -22.37 41.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' OD1' HG12 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -95.99 -0.57 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 61.13 27.77 17.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.689 HG22 ' H ' ' A' ' 31' ' ' ASN . 66.4 mt -100.77 144.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.33 4.38 15.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.689 ' H ' HG22 ' A' ' 29' ' ' ILE . 6.9 t-20 -145.37 69.16 13.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.729 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.03 125.58 9.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 31' ' ' ASN . 2.4 mp -105.83 95.41 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.711 ' HG ' HG23 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -91.37 114.05 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.619 ' HA ' HG23 ' A' ' 71' ' ' VAL . 10.3 ttm180 -99.89 132.25 45.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.716 HG23 ' CG ' ' A' ' 48' ' ' TYR . 15.2 mm -88.34 117.34 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 39' ' ' VAL . 8.9 ttt180 -126.89 113.53 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 76' ' ' SER . 58.9 t -45.88 132.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 37' ' ' ARG . 78.1 t -125.21 81.5 63.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 47' ' ' GLN . 3.1 pp0? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.832 ' HE1' HD22 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -118.65 144.02 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.541 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -84.88 159.05 20.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.576 ' HB3' HD12 ' A' ' 34' ' ' LEU . 6.6 mtt -103.36 159.18 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.55 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 177.86 137.26 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.78 131.16 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.17 175.13 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.58 -43.81 84.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 t -164.36 -178.66 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -78.88 156.2 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.8 170.62 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 21.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.33 54.67 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -120.11 142.88 48.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 67.3 m-70 -64.84 90.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -75.35 111.54 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 131.65 56.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -82.07 128.37 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 17' ' ' VAL . 1.9 m-85 -123.57 -164.88 1.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.43 72.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 67.73 39.53 90.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.729 HG13 ' HG2' ' A' ' 32' ' ' PRO . 66.6 t -150.0 158.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.24 109.91 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.641 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 60.3 t -102.42 147.46 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.619 HG23 ' HA ' ' A' ' 35' ' ' ARG . 24.4 m -144.63 158.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.028 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 7.5 mt -145.41 140.43 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.97 155.05 56.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.7 17.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.465 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 82.0 m-85 -87.37 -28.81 21.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.881 ' HB3' HG23 ' A' ' 38' ' ' VAL . 88.0 p -89.88 -18.16 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.572 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -55.93 -47.84 97.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.05 4.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.69 ' O ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -104.89 -1.84 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 79' ' ' TYR . 12.5 m -160.07 38.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.6 p-10 -44.42 112.69 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.75 27.16 0.32 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.473 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . . . -75.82 172.31 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 0.797 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' HD13 ' A' ' 98' ' ' ILE . 26.0 tt0 -101.76 130.04 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.832 HD22 ' HE1' ' A' ' 48' ' ' TYR . 1.2 tp -116.69 105.38 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.31 97.56 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -85.82 106.17 16.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 1.5 m-85 -81.11 117.35 21.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 0.775 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 122.96 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -123.01 124.46 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -114.87 108.83 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -110.81 135.34 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.952 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.621 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 26.5 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.642 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 79.5 m-85 -74.36 161.07 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.29 110.75 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -159.39 135.04 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -137.37 115.14 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG12 ' OH ' ' A' ' 65' ' ' TYR . 3.3 p -102.94 147.46 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.475 HG21 ' HB3' ' A' ' 86' ' ' ASP . 47.6 p -58.47 154.16 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.41 -25.06 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -65.43 -43.35 90.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 20' ' ' ILE . . . -58.53 -59.53 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -56.4 -41.89 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.04 -36.34 81.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 6.3 tp10 -59.98 -55.8 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 16' ' ' ALA . 5.0 mp -62.28 -31.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -60.87 -49.6 76.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.28 -45.47 39.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.553 ' CG1' ' CE2' ' A' ' 52' ' ' PHE . 2.4 t -53.86 -54.8 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -57.12 -37.08 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -2.02 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -111.4 4.61 19.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.31 29.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 74.9 mt -99.43 146.08 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.2 5.56 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -151.85 66.36 6.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 163.16 35.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.684 HG23 HG13 ' A' ' 71' ' ' VAL . 58.9 mt -138.17 133.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.666 ' CD1' HG21 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -90.69 118.51 30.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.537 ' N ' ' HE1' ' A' ' 50' ' ' MET . 8.1 tmm_? -114.01 114.31 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.7 mp -87.92 116.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.52 149.89 49.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' CE2' ' A' ' 48' ' ' TYR . 6.8 t -101.38 110.84 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.52 136.87 22.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.445 1.76 . . . . 0.0 110.994 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.78 ' CE2' HG22 ' A' ' 38' ' ' VAL . 49.3 m-85 -106.45 115.11 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.72 159.16 25.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -94.22 172.07 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.17 95.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 32.8 p90 -68.08 108.47 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -110.98 174.18 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -126.5 57.69 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -165.8 179.02 6.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -139.36 153.44 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -93.34 170.94 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.05 18.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.52 41.58 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -96.73 141.14 30.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.679 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -75.9 107.1 7.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.677 HG22 ' HD3' ' A' ' 69' ' ' LYS . 1.1 t -76.45 100.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.25 111.54 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.57 125.17 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.61 ' OH ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -111.59 -156.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -66.49 69.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 86.81 -29.17 5.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 t -94.95 156.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.677 ' HD3' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -113.08 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.492 HG22 HD22 ' A' ' 34' ' ' LEU . 55.7 t -124.19 155.68 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.684 HG13 HG23 ' A' ' 33' ' ' ILE . 1.2 m -145.05 151.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.612 HG13 ' C ' ' A' ' 71' ' ' VAL . 2.1 mt -139.15 163.41 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.32 161.48 42.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.96 16.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.426 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 2.5 t80 -94.21 -9.57 35.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.874 ' O ' HG22 ' A' ' 80' ' ' VAL . 9.8 t -88.92 -19.54 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -56.91 -50.98 85.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.08 0.68 8.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CE2' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -116.04 -11.98 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.874 HG22 ' O ' ' A' ' 76' ' ' SER . 7.7 m -145.96 41.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -86.79 121.49 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 58.89 12.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.58 152.87 27.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -120.13 108.6 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.475 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -95.39 103.48 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 50' ' ' MET . 8.6 t80 -85.72 123.31 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -124.29 128.97 49.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.975 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -140.36 143.7 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.5 mm -120.22 134.86 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.23 143.61 46.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -122.06 149.64 54.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.519 0.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 171.56 171.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.52 144.57 51.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 80.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.0 130.28 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.38 126.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.94 99.76 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.749 ' CD2' HD13 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -78.23 130.23 36.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 13.5 mm -73.92 110.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 2.5 t80 -156.93 149.66 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.0 mmtt -135.4 110.81 9.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -113.28 142.67 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.507 HG21 ' CG ' ' A' ' 86' ' ' ASP . 49.9 p -61.82 178.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -25.54 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -65.74 -49.05 69.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -52.79 -57.7 9.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 ' HD2' ' A' ' 65' ' ' TYR . 2.2 t -54.94 -43.55 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.58 -33.37 72.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.578 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 2.7 tp10 -66.55 -38.05 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.972 HG13 HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -74.05 -42.0 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -64.07 -40.28 95.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -69.54 -51.12 38.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.22 -47.53 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.752 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -67.95 -42.5 80.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -56.4 -33.7 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.52 -8.41 59.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 35.8 m-80 -108.36 -10.63 15.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 10.9 t30 78.44 28.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.743 HG22 ' H ' ' A' ' 31' ' ' ASN . 32.5 mt -99.45 146.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.11 9.45 11.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -150.71 66.82 7.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.752 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.02 130.07 12.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.25 115.41 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.972 HD22 HG13 ' A' ' 20' ' ' ILE . 15.4 tp -91.91 115.58 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -106.29 144.9 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.716 HD12 ' CE1' ' A' ' 48' ' ' TYR . 9.8 mm -103.07 131.33 51.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -148.09 118.49 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.53 129.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 37' ' ' ARG . 72.3 t -126.43 136.17 28.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 39' ' ' VAL . 18.1 Cg_endo -75.06 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.98 -111.04 1.04 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.31 -141.66 6.94 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.3 p -58.55 -32.65 69.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -58.08 -42.86 86.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.23 141.39 3.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.117 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.72 52.15 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -94.92 134.42 37.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 36' ' ' ILE . 8.9 p90 -78.22 138.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.71 159.36 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.821 ' HB3' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -107.63 173.39 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.38 172.36 43.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -109.42 120.92 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -120.01 175.89 5.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.82 -45.95 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 t -71.0 -178.98 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.89 155.58 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 170.18 15.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.08 47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.49 72.72 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.99 143.44 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.603 ' CD2' ' SD ' ' A' ' 77' ' ' MET . 11.3 m80 -64.97 88.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.55 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.686 HG23 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -78.52 113.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 2.7 t80 -116.17 118.82 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -67.94 136.24 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.683 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.0 m-85 -112.43 -167.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -66.53 70.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.71 36.37 43.03 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 32' ' ' PRO . 48.1 t -153.33 154.71 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -96.75 147.1 24.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 34' ' ' LEU . 98.5 t -145.92 152.22 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.686 HG12 HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -144.69 158.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.749 HD13 ' CD2' ' A' ' 8' ' ' PHE . 5.3 mp -143.86 130.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.13 166.4 2.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.11 14.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.445 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.2 m-85 -87.79 -30.82 19.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.0 p -89.17 -18.24 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.639 ' CE ' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.94 -49.36 93.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.02 1.94 7.2 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.23 4.3 33.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.513 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 32.7 m -151.85 33.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.27 104.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.17 16.3 13.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.47 173.8 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 1.8 tt0 -124.88 133.32 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.674 HD21 ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -117.07 108.74 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.507 ' CG ' HG21 ' A' ' 13' ' ' THR . 6.9 t0 -97.41 102.28 14.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 1.5 t80 -85.28 123.71 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.7 t -83.8 157.49 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.01 120.32 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' PHE . 60.0 m-20 -165.33 177.76 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.2 t80 35.06 -140.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.93 27.37 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.25 -100.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.35 -144.27 8.87 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -138.55 -178.08 15.92 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.6 113.33 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -130.92 136.14 48.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.596 HD12 ' CE2' ' A' ' 48' ' ' TYR . 4.3 tt -135.18 136.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.53 138.69 54.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -123.85 122.87 26.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.491 0.186 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.31 178.88 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -145.35 147.1 31.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -124.9 129.72 50.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.01 123.12 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.529 ' CA ' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -133.07 41.42 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.04 105.82 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.2 p90 -95.91 141.79 28.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.51 109.51 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 26.2 t80 -160.59 151.21 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -127.56 128.12 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.58 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -124.3 140.88 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -63.58 155.06 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 2.7 m-20 -61.71 -23.14 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HD2' HG22 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -64.52 -39.48 93.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB3' HG22 ' A' ' 12' ' ' VAL . . . -71.9 -50.94 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -61.57 -58.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -54.81 -24.17 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 20.4 tp10 -75.16 -17.87 60.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.561 HG23 ' CE2' ' A' ' 52' ' ' PHE . 4.1 mm -79.31 -55.3 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.37 -22.36 42.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -50.73 30.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.815 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -69.83 -24.48 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.26 -51.05 14.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -15.92 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.16 0.52 57.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -138.13 15.58 2.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 53.17 43.21 31.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 31' ' ' ASN . 71.0 mt -99.1 140.44 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -120.15 5.74 10.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.43 ' H ' HG22 ' A' ' 29' ' ' ILE . 40.2 t-20 -151.35 66.04 6.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.99 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.0 mt -92.68 96.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD11 ' CG ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -92.03 118.86 31.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -108.54 139.84 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 48' ' ' TYR . 2.0 mp -96.34 108.8 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -121.87 152.5 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG22 ' OH ' ' A' ' 48' ' ' TYR . 5.1 t -70.32 157.73 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -150.79 108.96 3.08 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 69.7 5.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.72 -58.04 2.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.29 158.14 23.49 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.09 -49.06 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -46.91 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.12 -98.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER 57.26 106.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 0.787 . . . . 0.0 111.061 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -134.64 152.71 51.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' OH ' HG22 ' A' ' 38' ' ' VAL . 32.1 m-85 -83.08 112.96 20.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . . . -80.56 159.3 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.641 ' CG ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.9 174.86 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.14 140.53 3.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.815 ' CE1' HG11 ' A' ' 23' ' ' VAL . 4.3 m-85 -112.02 113.62 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.08 175.3 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -129.54 62.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 56' ' ' VAL . 1.2 t -178.36 172.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.416 ' N ' ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -134.95 155.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -89.26 170.78 10.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.49 29.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.1 60.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.64 126.47 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' HA ' ' CA ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER -66.66 101.39 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.779 HG23 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -89.83 123.46 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -115.87 123.75 48.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.44 127.8 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.585 ' CD1' HG21 ' A' ' 17' ' ' VAL . 2.5 m-85 -113.75 -165.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.15 71.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.25 35.71 60.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 32' ' ' PRO . 78.9 t -150.49 151.96 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -108.04 145.43 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 34' ' ' LEU . 5.5 t -143.88 153.26 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.779 HG12 HG23 ' A' ' 62' ' ' VAL . 1.8 m -144.78 162.07 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG13 ' CE2' ' A' ' 8' ' ' PHE . 5.4 mt -144.98 125.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -47.27 158.72 0.45 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.09 13.25 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 4.0 m-85 -89.37 -26.66 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 -19.74 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.496 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.63 -50.7 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.01 1.06 8.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.14 -27.45 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.76 31.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.81 114.16 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.94 -34.66 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.2 -178.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.63 137.12 39.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -110.11 109.55 20.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.498 ' OD2' HG22 ' A' ' 97' ' ' THR . 0.5 OUTLIER -96.34 129.36 43.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 49.2 t80 -85.1 124.92 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.614 HG23 ' HB ' ' A' ' 97' ' ' THR . 77.7 t -71.67 152.78 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.639 HG22 ' HD2' ' A' ' 15' ' ' LYS . 12.6 t -127.19 119.24 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' PHE . 64.0 m-20 -165.08 -174.28 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.25 -140.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.38 25.57 3.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.18 -102.99 0.16 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.19 -146.57 9.99 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -161.5 -161.9 12.31 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.653 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -119.1 129.98 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.614 ' HB ' HG23 ' A' ' 88' ' ' VAL . 1.2 m -143.2 156.7 44.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.13 141.87 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.77 97.31 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -85.83 119.01 71.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.485 0.183 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.67 90.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -73.45 136.85 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -102.41 104.73 15.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.88 119.99 6.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -131.61 52.7 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -121.69 100.83 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.895 ' CG ' HD12 ' A' ' 72' ' ' ILE . 2.6 t80 -102.36 128.63 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.29 110.13 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 38.1 t80 -159.04 146.8 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -125.09 112.73 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -110.67 141.18 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.565 HG21 ' CG ' ' A' ' 86' ' ' ASP . 2.2 p -58.55 170.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -27.34 55.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -65.06 -45.97 83.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -57.22 -59.6 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.736 HG22 ' HD2' ' A' ' 65' ' ' TYR . 1.7 t -55.33 -44.06 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.29 -23.22 65.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 6.5 tp10 -82.51 -31.3 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.637 HD13 ' N ' ' A' ' 20' ' ' ILE . 2.9 mm -70.38 -51.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -22.64 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -74.85 -51.15 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.608 HG11 ' CD1' ' A' ' 52' ' ' PHE . 1.6 t -61.74 -38.83 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.864 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -66.37 -51.06 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.99 -26.74 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.46 -12.58 59.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -116.06 9.75 14.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.76 20.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.605 HG22 ' H ' ' A' ' 31' ' ' ASN . 64.5 mt -98.75 136.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.48 10.18 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.605 ' H ' HG22 ' A' ' 29' ' ' ILE . 16.6 t-20 -149.73 66.79 8.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.864 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.99 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.611 HG23 HG13 ' A' ' 71' ' ' VAL . 4.6 mt -92.7 106.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.708 HD12 ' H ' ' A' ' 51' ' ' GLY . 1.3 tp -91.77 128.17 37.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -110.92 126.79 55.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.548 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.4 mp -89.29 109.07 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 144.8 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 48' ' ' TYR . 2.9 t -73.35 154.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -130.3 92.4 35.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 81.95 2.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.52 130.15 3.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.93 158.92 28.47 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 -50.94 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -106.03 -40.75 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.956 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.0 133.21 52.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -169.3 99.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -136.26 156.49 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 31.3 m-85 -91.47 122.54 34.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.15 159.17 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.65 ' HG2' HD11 ' A' ' 34' ' ' LEU . 9.6 mtt -109.9 174.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.708 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -176.41 -170.93 39.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD1' HG11 ' A' ' 23' ' ' VAL . 1.2 p90 -138.5 126.67 22.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.89 172.68 9.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' HA ' HD12 ' A' ' 33' ' ' ILE . 21.2 m-20 -125.67 -45.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -67.68 179.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.33 155.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 170.86 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -83.3 40.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.72 66.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -108.21 142.0 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.01 81.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -76.74 114.62 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.618 ' CZ ' ' O ' ' A' ' 8' ' ' PHE . 1.0 OUTLIER -117.35 120.46 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.96 134.06 53.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 70' ' ' VAL . 1.9 m-30 -113.76 -167.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.62 70.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . . . 74.59 36.33 49.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 38.8 t -152.87 161.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 0.8 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 2.5 mttt -102.56 147.95 26.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 65' ' ' TYR . 46.9 t -146.24 158.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.611 HG13 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -146.56 154.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.895 HD12 ' CG ' ' A' ' 8' ' ' PHE . 4.6 mt -144.57 115.17 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.96 161.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.2 13.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 14.9 m-85 -80.72 -19.81 44.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -87.87 -18.49 29.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.08 -52.98 70.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -43.79 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.639 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 22.6 m -122.74 49.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 5.5 p-10 -79.54 100.66 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.94 -24.39 11.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.46 176.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 9.1 pt-20 -132.35 156.29 46.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -135.64 107.75 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.565 ' CG ' HG21 ' A' ' 13' ' ' THR . 24.7 t0 -97.08 123.72 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 3.8 t80 -85.42 138.27 32.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.541 HG12 ' OD1' ' A' ' 90' ' ' ASP . 71.9 t -93.98 143.04 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 17.7 t -128.44 110.7 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.541 ' OD1' HG12 ' A' ' 88' ' ' VAL . 1.5 m-20 -166.57 -149.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.0 -14.63 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.48 2.47 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 57.71 26.92 58.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.29 93.41 2.06 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -100.84 -166.93 28.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -128.57 147.81 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 2.1 m -153.52 144.36 22.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 85' ' ' LEU . 15.2 mm -109.17 139.81 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 2.2 mtt180 -127.27 96.95 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.88 117.38 24.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.19 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -134.53 85.49 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -146.39 133.12 19.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.35 79.99 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.54 121.89 22.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HG2' ' CD2' ' A' ' 61' ' ' HIS . 15.1 tt0 -177.69 130.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 15.4 tt0 -121.41 105.34 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.804 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -74.6 159.41 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mm -74.12 110.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -159.49 137.37 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 84' ' ' GLU . 49.0 mmtt -135.99 118.92 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.824 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.02 134.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.85 HG21 ' CG ' ' A' ' 86' ' ' ASP . 43.6 p -55.28 155.81 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -62.94 -24.69 67.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -63.69 -41.62 98.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 19' ' ' GLU . . . -72.08 -51.15 22.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.824 HG23 ' CG1' ' A' ' 12' ' ' VAL . 1.4 t -60.2 -45.95 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -73.86 -5.62 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.4 tp10 -90.2 -17.54 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.895 ' CG2' HD11 ' A' ' 34' ' ' LEU . 1.5 mm -88.06 -31.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -60.0 -36.96 78.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -75.02 -28.65 60.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 1.4 t -77.57 -38.66 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -40.44 55.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -51.72 -44.88 63.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -15.74 63.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.52 8.82 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 57.99 25.02 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -99.47 136.77 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.75 8.51 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -151.18 75.08 8.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.3 38.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.43 HG23 HG13 ' A' ' 71' ' ' VAL . 7.7 mt -130.59 112.69 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.895 HD11 ' CG2' ' A' ' 20' ' ' ILE . 2.1 mm? -88.95 110.74 21.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -99.02 122.59 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.504 ' CG2' HG23 ' A' ' 72' ' ' ILE . 1.1 mp -88.1 128.17 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -150.89 123.95 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.579 HG22 ' HE1' ' A' ' 48' ' ' TYR . 3.9 t -60.07 120.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.2 p -96.49 117.01 66.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 72.09 4.75 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.63 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 115.31 0.95 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.82 -10.03 59.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -106.98 -42.86 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.82 113.14 2.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -157.26 136.74 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -135.04 163.72 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.78 ' CZ ' HG12 ' A' ' 80' ' ' VAL . 92.4 m-85 -88.44 102.81 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -82.56 138.75 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 34' ' ' LEU . 4.7 ptt? -121.9 165.75 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.54 161.83 27.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 33.6 p90 -69.67 115.22 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' OD2' HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -86.14 174.61 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.28 -41.95 84.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -164.63 -178.32 5.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.502 ' N ' HG23 ' A' ' 55' ' ' THR . 0.3 OUTLIER -83.7 155.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.05 169.87 12.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 20.94 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.23 47.45 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.51 125.81 47.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.804 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 3.5 m80 -64.91 101.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.46 119.78 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -115.47 113.34 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.05 132.87 45.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -120.29 -162.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.96 70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 75.98 17.25 80.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.99 159.45 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -109.99 146.52 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 65' ' ' TYR . 10.0 t -136.83 148.8 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 56' ' ' VAL . 5.3 m -144.25 159.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.504 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.8 mt -143.71 132.82 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.53 158.5 14.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.75 13.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.6 m-85 -94.47 -27.2 16.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.3 m -89.61 -20.51 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.554 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 mmm -58.56 -49.6 92.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.3 Cg_endo -74.97 2.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -19.8 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.78 HG12 ' CZ ' ' A' ' 48' ' ' TYR . 3.0 m -126.1 2.32 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' MET . 21.5 t-20 -53.41 153.16 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 40.01 50.08 3.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.147 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' VAL . . . -153.99 154.91 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 1.4 mt-10 -109.43 160.01 16.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.659 ' HB2' HD12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -132.54 108.87 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.85 ' CG ' HG21 ' A' ' 13' ' ' THR . 3.0 t0 -95.25 122.04 37.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 75.8 t80 -85.04 128.05 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.505 ' CG1' ' OD1' ' A' ' 90' ' ' ASP . 16.1 t -72.51 154.7 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.95 120.93 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' OD1' ' CG1' ' A' ' 88' ' ' VAL . 5.7 m-20 -165.58 170.87 13.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.35 -139.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.83 25.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.28 101.41 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.62 -165.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -113.56 -154.7 11.44 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.2 m-85 -125.1 137.62 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.4 m -137.45 136.04 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.659 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -120.92 140.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -123.22 103.83 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -90.39 148.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.522 0.201 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -135.81 132.6 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.96 156.82 18.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.46 79.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.78 125.4 26.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.15 118.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -115.28 98.59 6.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.63 ' CE1' ' ND1' ' A' ' 61' ' ' HIS . 37.6 m-85 -81.46 160.86 23.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -86.21 117.28 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.613 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 2.5 t80 -159.68 113.12 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 1.7 mtmt -105.29 131.63 52.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -126.32 130.18 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.618 HG21 ' CG ' ' A' ' 86' ' ' ASP . 61.8 p -53.21 149.12 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.458 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.49 -26.33 42.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' HG2' HG21 ' A' ' 89' ' ' VAL . 0.3 OUTLIER -64.22 -40.56 96.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -64.41 -58.05 7.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.651 HG21 ' CD1' ' A' ' 65' ' ' TYR . 1.0 OUTLIER -55.71 -51.31 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -51.75 -40.17 59.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 8.7 tp10 -58.95 -24.94 63.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.856 HG13 HD22 ' A' ' 34' ' ' LEU . 1.4 mm -84.26 -41.48 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -66.75 -42.54 86.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.6 75.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.74 -59.52 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.729 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -57.88 -35.24 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.98 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -86.36 -3.92 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -121.18 16.7 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 51.13 30.7 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.513 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 73.6 mt -91.69 140.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.26 7.81 10.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.3 66.16 6.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.729 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 131.08 13.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 54' ' ' ASP . 13.3 mt -102.2 104.43 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.856 HD22 HG13 ' A' ' 20' ' ' ILE . 40.4 tp -92.39 122.46 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 22.5 ptt85 -115.12 128.28 56.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.38 109.94 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 157.66 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.697 HG22 ' HE2' ' A' ' 48' ' ' TYR . 46.4 t -83.87 118.7 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 39' ' ' VAL . 27.6 m -135.56 88.53 24.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.92 4.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.29 -65.9 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.19 136.0 24.71 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.0 t -54.69 -48.08 72.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.44 14.54 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.61 51.12 0.87 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 48.7 p90 -84.94 111.18 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' PHE . 21.2 mp0 -147.04 174.26 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.697 ' HE2' HG22 ' A' ' 38' ' ' VAL . 20.4 m-85 -89.17 119.58 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.72 159.25 19.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.637 ' HE1' HD11 ' A' ' 20' ' ' ILE . 10.5 mtt -98.63 175.28 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.44 168.71 40.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -131.81 98.13 4.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' HB3' HG22 ' A' ' 55' ' ' THR . 1.1 m-20 -130.88 125.98 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.723 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -65.44 -46.34 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 53' ' ' ASP . 15.3 t -42.61 160.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.48 155.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.57 170.7 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.67 24.12 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.47 53.59 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CG ' ' HB ' ' A' ' 71' ' ' VAL . 1.1 m-20 -97.41 143.48 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.63 ' ND1' ' CE1' ' A' ' 8' ' ' PHE . 7.9 m-70 -74.07 102.55 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -76.11 115.08 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 72' ' ' ILE . 3.2 m-85 -116.08 112.84 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -76.37 128.04 34.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.651 ' CD1' HG21 ' A' ' 17' ' ' VAL . 2.7 m-85 -122.57 -166.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.15 70.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.42 35.8 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 32' ' ' PRO . 47.2 t -145.63 145.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 146.08 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.675 HG22 ' HB3' ' A' ' 34' ' ' LEU . 2.6 t -132.69 158.28 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.2 m -144.87 110.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.666 HD12 ' CE1' ' A' ' 63' ' ' PHE . 4.1 mt -94.72 171.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.545 ' H ' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -101.91 160.56 26.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.19 15.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.448 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 6.1 m-85 -90.5 -8.51 50.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.763 ' O ' HG22 ' A' ' 80' ' ' VAL . 7.8 t -89.1 -25.8 21.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.498 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -57.42 -51.44 81.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.97 2.28 6.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.558 1.82 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -23.53 9.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 76' ' ' SER . 11.2 m -138.69 40.03 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -69.73 105.15 2.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.18 -4.75 61.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.28 169.78 17.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 2.2 pt-20 -126.96 139.64 52.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.55 107.43 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.618 ' CG ' HG21 ' A' ' 13' ' ' THR . 18.2 t0 -97.19 104.81 16.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.608 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 12.1 t80 -85.62 132.31 34.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 t -86.1 154.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG21 ' HG2' ' A' ' 15' ' ' LYS . 49.9 t -127.34 123.31 61.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' PHE . 41.2 m-20 -165.35 -174.15 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 35.24 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.4 27.61 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.38 -111.38 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.3 -167.0 36.8 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.55 -170.89 12.08 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -120.44 139.61 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 2.6 m -157.56 143.7 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.52 144.99 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 100.8 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -73.3 131.61 82.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.51 0.195 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 175.97 -174.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -72.4 138.12 46.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -103.8 131.06 51.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.03 129.61 38.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -169.17 124.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -121.16 99.99 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -83.6 159.79 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.14 110.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CD1' HD13 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -159.1 145.06 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 5.2 mppt? -144.05 128.89 18.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.819 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -133.02 128.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.0 p -62.27 166.32 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -31.3 72.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -57.43 -44.41 84.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.49 37.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.819 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.9 t -55.69 -48.32 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.8 tm-20 -59.18 -45.06 92.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 3.6 tm-20 -46.0 -34.89 4.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.832 ' CG2' HD11 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -79.59 -35.87 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.6 mmtp -56.66 -34.46 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -74.99 -42.22 57.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.97 -40.28 88.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -75.41 -41.03 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -45.56 74.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.37 -19.84 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.87 4.18 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 t30 60.55 32.64 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.451 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 85.3 mt -94.57 136.78 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -114.26 5.08 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -151.47 72.4 8.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.06 122.46 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 mt -103.52 96.28 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.832 HD11 ' CG2' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.7 137.27 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 33.4 ttp180 -108.11 152.6 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 48' ' ' TYR . 6.0 mm -88.75 128.63 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.72 120.84 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.664 HG21 ' CG ' ' A' ' 79' ' ' TYR . 82.1 t -76.84 125.4 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -100.38 136.35 20.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.25 2.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.91 -57.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -49.78 102.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.6 p -73.45 -24.84 60.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -111.39 -32.11 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.5 106.74 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -68.21 102.54 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 115.91 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.905 ' CD2' HG11 ' A' ' 80' ' ' VAL . 51.9 p90 -81.2 115.96 20.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . . . -80.75 159.2 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.15 175.12 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.43 126.22 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 7.0 p90 -68.98 122.56 18.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -100.13 175.0 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -44.87 83.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 t -165.3 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.082 HG23 HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -81.25 155.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' NH1' ' A' ' 35' ' ' ARG . 18.8 mt-10 -79.26 170.98 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -85.33 23.73 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.4 55.22 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -123.24 136.01 54.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.786 ' CD2' ' CD2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -65.13 97.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.69 115.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 8.4 t80 -116.32 120.49 39.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.5 126.58 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.755 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 4.3 m-85 -101.21 -168.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' HB3' HG11 ' A' ' 17' ' ' VAL . 2.4 t70 -67.38 70.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.9 34.08 35.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 67' ' ' GLY . 60.5 t -153.34 159.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -100.9 154.86 18.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.755 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 22.2 t -153.38 161.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.082 HG11 HG23 ' A' ' 56' ' ' VAL . 1.2 m -146.81 116.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.69 HD13 ' CD1' ' A' ' 10' ' ' PHE . 4.0 mt -94.42 138.94 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.67 159.03 80.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.48 12.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 7.4 m-85 -89.84 -29.48 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.459 ' OG ' HG23 ' A' ' 38' ' ' VAL . 23.2 t -88.32 -19.42 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.603 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.43 -52.13 76.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.0 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.664 ' CG ' HG21 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -97.97 -28.96 13.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.905 HG11 ' CD2' ' A' ' 48' ' ' TYR . 17.7 m -135.77 37.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -76.24 148.21 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 46.05 49.35 13.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -155.54 150.91 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.747 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 3.8 pt-20 -102.72 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 48' ' ' TYR . 1.3 tp -121.41 106.29 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.97 131.09 45.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 4.2 t80 -85.91 130.44 34.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' HB ' ' A' ' 97' ' ' THR . 52.6 t -100.52 146.66 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.37 111.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.66 -149.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.36 -15.27 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.67 15.92 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLY . . . 40.88 84.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . 36.49 88.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 87' ' ' TYR . . . -109.49 -171.38 20.53 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 49' ' ' ALA . 20.7 m-85 -112.49 145.66 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.609 ' HB ' HG23 ' A' ' 88' ' ' VAL . 3.1 m -145.62 143.64 29.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.484 HD11 ' CE2' ' A' ' 48' ' ' TYR . 49.3 mm -100.3 137.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.8 103.39 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -77.94 129.81 74.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.518 0.199 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 76.57 65.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.83 147.1 48.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 tm0? -122.05 146.81 46.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.3 100.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.494 ' HG3' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -128.25 40.53 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -123.11 106.4 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 6.5 p90 -100.84 138.88 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mm -86.97 109.79 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 27.7 t80 -160.5 137.34 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 23.4 mmtt -105.53 129.73 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -125.02 137.31 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 86' ' ' ASP . 6.6 p -57.94 170.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.37 -30.04 61.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -36.98 85.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.558 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -63.23 -55.17 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -57.71 -46.06 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.76 -31.33 72.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 3.8 tp10 -64.82 -26.9 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.69 HG23 ' HG ' ' A' ' 34' ' ' LEU . 2.2 mm -74.27 -33.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.31 -31.03 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -51.1 37.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.36 -30.78 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.96 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.0 -11.32 59.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -114.04 7.97 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.4 t30 44.55 40.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -99.66 127.11 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.29 7.42 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -151.24 66.18 7.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.96 120.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.3 mt -100.97 96.1 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.69 ' HG ' HG23 ' A' ' 20' ' ' ILE . 1.6 mm? -95.34 139.55 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CG ' HG23 ' A' ' 71' ' ' VAL . 2.0 tmm_? -120.6 143.01 48.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 36' ' ' ILE . 18.6 mm -89.23 137.51 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -142.02 165.64 26.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.519 HG22 ' CE1' ' A' ' 48' ' ' TYR . 2.6 t -112.01 109.6 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 33.5 m -101.8 134.09 20.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 82.44 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.79 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.81 149.02 6.39 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.7 m -73.64 -43.17 60.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -45.28 62.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.49 59.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 60.85 100.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -136.27 161.68 35.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 44.5 m-85 -81.7 126.63 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.68 159.04 16.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.498 ' HB2' HD12 ' A' ' 34' ' ' LEU . 17.5 ptp -100.61 173.78 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.449 ' C ' HD13 ' A' ' 34' ' ' LEU . . . -178.16 113.21 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 54.9 p90 -68.9 121.27 16.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.34 175.23 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -18.29 46.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -171.3 177.44 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.544 HG23 HG11 ' A' ' 71' ' ' VAL . 1.3 p -95.52 154.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.8 170.55 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.96 23.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.58 61.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.51 134.34 49.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.491 ' HA ' ' CA ' ' A' ' 6' ' ' GLN . 98.5 m-70 -64.29 93.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.553 HG23 HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -81.78 134.08 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -116.59 133.62 55.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.29 122.69 33.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.657 ' CD1' HG21 ' A' ' 17' ' ' VAL . 4.7 m-85 -115.83 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.99 72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.31 22.02 79.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -131.4 155.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HG2' HG22 ' A' ' 62' ' ' VAL . 2.9 tttt -114.58 144.28 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -145.8 155.89 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG12 HG23 ' A' ' 62' ' ' VAL . 1.2 m -144.72 164.97 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.579 HD12 ' CD1' ' A' ' 8' ' ' PHE . 63.6 mt -146.7 117.11 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.3 m-20 -39.18 154.79 0.15 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.24 -27.73 21.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.453 ' OG ' HG23 ' A' ' 38' ' ' VAL . 68.0 m -88.77 -18.92 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.502 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -57.1 -51.14 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.96 1.8 7.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.22 -25.89 14.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.59 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 32.2 m -139.48 38.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 3.5 p30 -78.9 120.64 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.98 -32.58 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 177.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.941 ' O ' HG23 ' A' ' 98' ' ' ILE . 29.8 tt0 -134.29 132.36 39.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -110.34 113.87 26.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.588 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -97.02 100.72 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.591 ' OH ' ' CE2' ' A' ' 96' ' ' PHE . 6.0 t80 -85.53 122.57 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.3 t -98.57 147.28 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 t -128.6 111.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -165.5 -151.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.12 -14.88 4.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.52 2.6 21.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.66 14.23 28.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.538 ' O ' ' CE1' ' A' ' 96' ' ' PHE . . . 125.97 80.46 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -69.38 115.7 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.591 ' CE2' ' OH ' ' A' ' 87' ' ' TYR . 25.0 m-85 -92.45 114.59 27.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 86' ' ' ASP . 7.4 t -145.78 138.27 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.941 HG23 ' O ' ' A' ' 84' ' ' GLU . 4.4 mp -120.86 138.0 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.51 104.47 14.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -53.07 153.85 5.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.53 0.205 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -114.06 -173.96 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.23 156.84 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -69.08 97.76 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.2 165.09 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.501 HE21 ' N ' ' A' ' 61' ' ' HIS . 5.6 pt20 -175.97 117.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 6.4 tt0 -121.51 99.47 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 4.8 m-30 -87.65 160.93 17.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -83.23 112.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -157.21 149.4 22.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -137.35 146.2 44.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.774 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -129.72 134.56 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 13' ' ' THR . 49.5 p -54.27 154.53 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -39.58 75.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -61.42 -43.7 98.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.576 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -60.53 -46.83 88.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.847 HG22 ' CD2' ' A' ' 65' ' ' TYR . 1.2 t -66.8 -56.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -57.37 -24.62 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' C ' HD13 ' A' ' 20' ' ' ILE . 17.2 tp10 -67.88 -18.59 64.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.729 HG23 HD23 ' A' ' 34' ' ' LEU . 2.1 mm -85.5 -40.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 39.0 mtmt -62.37 -42.52 99.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -60.96 -26.56 67.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 52' ' ' PHE . 2.3 t -90.17 -33.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.24 -48.16 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.52 HE21 ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.79 -24.77 66.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.3 OUTLIER -80.48 -16.62 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -112.93 4.79 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 59.16 36.59 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.85 132.16 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.22 8.57 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -151.32 66.7 7.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.95 142.33 27.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.474 HG23 HG13 ' A' ' 71' ' ' VAL . 7.2 mt -124.66 100.42 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.729 HD23 HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -92.39 131.87 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HA ' HG22 ' A' ' 71' ' ' VAL . 3.6 ptt180 -110.1 146.54 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.662 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.5 mp -103.25 109.57 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.83 157.3 37.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.633 HG22 ' CE2' ' A' ' 48' ' ' TYR . 1.5 t -94.19 137.89 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.3 p -162.9 107.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.11 23.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.19 -48.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -61.79 0.43 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -42.31 25.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -76.52 -42.86 41.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.13 180.0 16.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 13.0 t80 -84.84 104.61 14.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.75 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -145.84 161.74 39.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 7.2 m-85 -98.77 125.02 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.527 ' CE ' HD11 ' A' ' 20' ' ' ILE . 12.6 mtt -91.01 174.62 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.3 129.24 1.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.448 ' CD2' HG11 ' A' ' 23' ' ' VAL . 7.5 p90 -108.08 108.48 19.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -107.5 175.12 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 55' ' ' THR . 57.4 m-20 -128.06 59.98 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 8.2 t -176.2 150.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.05 155.74 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -95.74 170.6 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -82.05 42.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.26 72.48 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -120.79 141.71 50.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 0.716 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.838 ' CD2' HD12 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -65.38 94.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.589 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -76.26 108.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.662 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -116.66 120.99 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.31 125.05 28.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.968 ' CE2' HG21 ' A' ' 70' ' ' VAL . 3.8 m-30 -105.5 -168.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.92 70.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 77.18 34.72 40.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 32' ' ' PRO . 41.7 t -151.92 157.02 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 149.23 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.968 HG21 ' CE2' ' A' ' 65' ' ' TYR . 2.4 t -138.46 161.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.4 m -145.44 160.22 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 61' ' ' HIS . 3.1 mt -149.2 165.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.07 158.62 33.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.59 13.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.484 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -90.14 -14.39 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 1.029 ' O ' HG22 ' A' ' 80' ' ' VAL . 74.9 m -89.55 -20.45 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.8 -48.97 96.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.96 1.69 7.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.475 ' CE1' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -114.22 -5.61 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.029 HG22 ' O ' ' A' ' 76' ' ' SER . 31.1 m -143.07 34.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 2.3 p30 -54.26 122.18 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 38.74 28.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . . . -76.06 178.52 6.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -141.25 106.25 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 97' ' ' THR . 1.8 tp -73.1 107.3 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' A' ' 97' ' ' THR . 0.7 OUTLIER -97.35 139.01 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 4.7 t80 -85.93 122.79 30.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.1 t -124.9 161.5 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 44.0 t -117.74 128.21 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.452 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 48.0 m-20 -164.82 -161.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t80 36.69 -140.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -77.08 -10.24 59.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 90' ' ' ASP . . . -161.09 -98.17 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.59 -176.44 16.23 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . 128.29 -0.82 6.54 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.7 p90 -129.77 107.05 9.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.842 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -149.12 152.62 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.413 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 85' ' ' LEU . 4.6 tp -129.9 124.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.81 97.16 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.78 154.89 61.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.53 0.205 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.36 175.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.61 128.54 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 6' ' ' GLN . 1.3 tp60 -88.93 88.24 7.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.5 87.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -104.63 52.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.563 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 33.1 tt0 -117.26 98.24 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 61' ' ' HIS . 2.9 m-30 -106.06 159.98 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.15 113.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -159.06 129.99 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -134.58 126.15 28.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.773 HG22 ' CB ' ' A' ' 16' ' ' ALA . 3.3 p -105.41 149.4 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 p -63.73 143.91 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -33.3 20.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . 4.8 tptt -64.88 -43.91 91.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.773 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -54.79 -45.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 65' ' ' TYR . 1.6 t -73.75 -48.96 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.06 -23.19 61.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.737 ' OE1' HG22 ' A' ' 89' ' ' VAL . 17.8 tp10 -68.45 -76.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 34' ' ' LEU . 2.1 mp -48.06 -23.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -53.44 -38.76 63.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -75.55 -42.69 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.78 -36.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -71.75 -39.65 69.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -36.62 83.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -8.03 51.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -112.18 10.92 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.8 t30 54.76 33.59 19.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -99.63 148.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -127.93 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.92 66.81 7.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.4 Cg_endo -74.96 142.14 27.64 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.442 HG23 HG13 ' A' ' 71' ' ' VAL . 63.2 mt -124.74 97.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.56 129.69 37.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -109.01 133.78 52.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' ' CG1' ' A' ' 70' ' ' VAL . 4.0 mp -88.61 108.67 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 156.71 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' CD2' ' A' ' 79' ' ' TYR . 43.9 t -80.9 134.25 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -125.0 85.63 57.63 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 1.06 8.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.96 63.85 0.87 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.79 88.41 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.12 -28.96 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.13 -32.25 16.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.92 137.66 2.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 37.2 p90 -84.45 111.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -136.73 162.78 32.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 20.0 m-85 -84.81 105.2 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.11 159.05 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.57 ' SD ' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -94.27 175.39 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.86 113.61 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.715 ' HA ' HD13 ' A' ' 34' ' ' LEU . 11.0 p90 -68.92 125.14 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.0 175.34 6.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 55' ' ' THR . 15.4 p30 -148.13 64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 10.0 t -175.66 149.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.95 155.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 3.1 mm-40 -108.58 170.18 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -84.7 38.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.83 58.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -116.14 137.73 51.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.693 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 1.1 t60 -65.04 121.18 14.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.688 HG22 ' HE3' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -95.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -118.27 111.91 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.92 124.18 27.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.662 ' CE2' HG12 ' A' ' 12' ' ' VAL . 3.1 m-85 -111.74 -165.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.25 69.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 85.86 -20.12 21.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG13 ' HG2' ' A' ' 32' ' ' PRO . 19.9 t -96.86 171.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.688 ' HE3' HG22 ' A' ' 62' ' ' VAL . 14.8 tttt -137.91 150.28 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 34' ' ' LEU . 9.9 t -131.49 152.37 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.7 m -144.32 110.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 mt -93.37 158.6 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.41 159.51 50.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.28 13.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 11.9 m-85 -88.91 -23.47 22.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 80' ' ' VAL . 39.9 t -89.26 -18.37 27.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.03 -49.5 92.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.578 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -106.52 -23.18 12.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.658 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 34.6 m -135.1 43.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -82.54 142.8 31.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 45.05 55.54 6.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.55 169.61 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -125.38 150.27 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.534 ' HA ' HD13 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -107.47 108.93 20.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' A' ' 97' ' ' THR . 36.9 t0 -95.18 104.77 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.57 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -85.46 118.68 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 95' ' ' GLY . 17.5 t -74.81 147.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.737 HG22 ' OE1' ' A' ' 19' ' ' GLU . 16.3 t -128.7 114.41 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.77 -150.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.71 -14.17 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.56 6.51 17.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.57 19.74 10.08 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.96 90.44 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -84.37 -169.18 45.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -129.42 138.06 51.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 1.2 m -157.33 134.14 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 85' ' ' LEU . 27.1 mm -111.73 129.61 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 116.64 32.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -119.36 119.08 32.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.474 0.178 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 49.86 74.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -146.42 148.86 32.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.24 87.52 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.16 108.79 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -173.09 129.32 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -120.42 104.06 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.7 ' CD1' ' HE1' ' A' ' 77' ' ' MET . 8.3 t80 -74.41 161.98 29.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' ' CZ ' ' A' ' 8' ' ' PHE . 10.6 mm -79.46 109.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 26.6 t80 -159.37 135.24 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -137.02 111.48 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -108.76 137.63 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -57.99 168.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.33 -30.75 69.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -45.69 90.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.713 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -61.56 -51.98 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.652 HG23 ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -61.02 -55.47 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 17' ' ' VAL . 2.3 tt0 -51.56 -26.67 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.571 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 11.5 tp10 -58.98 -37.7 77.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.052 ' CG1' HD13 ' A' ' 34' ' ' LEU . 2.5 mp -74.05 -35.69 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -58.34 -44.12 88.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -48.92 34.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.74 -40.4 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -73.07 -39.54 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.01 -39.48 74.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -4.59 41.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -116.82 5.06 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t30 54.47 34.98 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.0 mt -99.18 141.93 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -118.76 6.43 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -151.34 66.35 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.452 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -74.98 161.26 39.11 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.76 114.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.052 HD13 ' CG1' ' A' ' 20' ' ' ILE . 9.1 tp -92.38 130.84 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HA ' HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -120.01 139.68 52.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.972 HG21 HG21 ' A' ' 80' ' ' VAL . 8.2 mm -92.45 111.7 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -128.57 134.98 48.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.489 HG21 ' CD2' ' A' ' 79' ' ' TYR . 2.3 t -78.68 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -151.93 125.84 4.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.9 171.44 19.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.52 122.42 2.79 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.23 -42.81 75.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.16 -42.75 99.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.62 163.33 11.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -38.85 107.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.07 131.04 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.868 ' CE2' HG12 ' A' ' 80' ' ' VAL . 2.6 m-85 -78.65 137.17 37.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.73 158.5 25.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.755 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -136.68 145.26 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.18 172.93 45.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 41.8 p90 -77.95 127.3 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.94 173.61 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.32 -34.61 28.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -166.09 173.15 10.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.746 HG23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -91.12 155.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.33 170.17 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -87.33 21.77 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.59 52.05 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -111.81 168.54 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.9 95.94 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -76.04 116.23 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -115.23 112.74 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -73.07 134.57 44.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -138.88 -155.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -66.11 71.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 64.86 39.12 96.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 67' ' ' GLY . 49.0 t -152.43 144.62 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.57 129.16 56.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 71' ' ' VAL . 54.0 t -102.9 161.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -144.74 156.94 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.895 HG23 ' HB ' ' A' ' 36' ' ' ILE . 7.2 mt -144.12 105.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.1 m-20 -39.21 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 18.5 Cg_endo -74.96 -20.9 16.5 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.415 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -84.99 -28.5 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' VAL . 10.9 p -88.44 -17.61 30.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.7 ' HE1' ' CD1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.75 -51.45 80.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.044 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -75.05 1.56 7.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CD2' HG21 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -112.27 -11.08 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.972 HG21 HG21 ' A' ' 36' ' ' ILE . 4.4 m -143.63 48.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 5.8 p-10 -91.78 139.23 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.2 57.26 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.74 175.99 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 98' ' ' ILE . 6.8 pt-20 -132.18 173.63 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.548 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -133.88 107.71 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 97' ' ' THR . 45.9 t0 -96.62 133.9 40.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 95' ' ' GLY . 40.5 t80 -85.63 99.87 11.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 97' ' ' THR . 15.1 t -99.6 154.13 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -127.33 128.04 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' PHE . 53.3 m-20 -165.28 -166.09 0.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 36.66 -141.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ptm -66.41 -15.85 63.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.42 118.73 0.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -94.69 -157.85 32.89 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 87' ' ' TYR . . . 144.31 -13.84 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.69 106.63 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.637 HG21 HG21 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -144.19 139.52 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 84' ' ' GLU . 3.5 mp -131.67 142.9 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.04 124.95 40.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -99.49 140.65 21.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.464 0.173 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.18 72.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -138.55 154.38 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.68 106.31 16.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.81 110.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.594 ' HG3' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -124.55 43.09 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 3.1 pt20 -122.15 104.71 9.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 2.1 m-85 -120.15 159.7 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mm -85.11 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -154.74 112.77 3.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -106.12 117.49 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.633 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.83 136.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.0 p -58.56 171.6 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.92 -27.76 57.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -42.75 92.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 87' ' ' TYR . . . -64.41 -50.27 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.633 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.1 t -55.68 -48.93 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -61.67 -40.3 94.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 15.9 tp10 -54.22 -30.39 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.799 HG23 ' HG ' ' A' ' 34' ' ' LEU . 3.0 mm -67.59 -36.33 75.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -27.22 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -30.67 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.74 -32.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.15 -42.59 55.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -54.42 -24.98 22.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -2.49 57.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.0 2.3 8.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.6 t30 54.29 38.3 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 31' ' ' ASN . 71.2 mt -99.69 127.41 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 7.66 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.478 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.1 p-10 -151.12 66.79 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -74.99 115.13 4.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 91.4 mt -100.82 97.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.799 ' HG ' HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -91.58 137.3 32.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -117.75 140.41 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.906 ' HB ' HG23 ' A' ' 72' ' ' ILE . 6.5 mm -89.45 139.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.8 144.74 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.768 HG22 ' HE1' ' A' ' 48' ' ' TYR . 21.7 t -82.15 115.12 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.0 p -130.02 83.59 63.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.2 Cg_endo -75.0 80.38 2.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.54 1.811 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -37.62 -30.53 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . 173.1 -156.13 24.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.4 p -70.23 -13.74 62.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -61.31 -14.1 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 46' ' ' PHE . . . 102.16 -66.97 0.4 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CE2' ' HA3' ' A' ' 41' ' ' GLY . 7.4 m-85 58.66 127.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.494 ' OE1' ' CG2' ' A' ' 98' ' ' ILE . 10.6 mm-40 -90.66 179.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.768 ' HE1' HG22 ' A' ' 38' ' ' VAL . 25.9 m-85 -78.16 117.79 19.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.36 21.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.595 ' SD ' HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -96.16 167.07 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.24 117.64 0.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 37.0 p90 -70.07 128.91 37.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.62 175.37 6.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -100.28 -9.11 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 56' ' ' VAL . 1.8 m -165.67 168.27 16.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER -95.03 155.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.14 170.71 12.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 24.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.3 59.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -122.5 148.78 44.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.804 ' HB3' HD12 ' A' ' 72' ' ' ILE . 1.5 t60 -66.14 72.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.6 p -76.31 98.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -116.1 143.86 44.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HE3' ' A' ' 69' ' ' LYS . 11.9 mt-10 -87.87 139.2 30.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 63' ' ' PHE . 49.4 m-85 -129.63 -160.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -64.99 71.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 70.31 16.13 73.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 32' ' ' PRO . 59.5 t -131.89 163.46 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HD2' HG22 ' A' ' 62' ' ' VAL . 1.3 mmtp -128.02 142.88 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 65' ' ' TYR . 14.0 t -132.8 152.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 3.6 m -145.16 158.65 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.906 HG23 ' HB ' ' A' ' 36' ' ' ILE . 1.3 mp -140.79 122.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -39.47 157.88 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.95 15.3 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 5.9 m-85 -86.44 -25.11 25.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.789 ' O ' HG22 ' A' ' 80' ' ' VAL . 8.5 m -89.13 -18.64 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -56.28 -49.43 93.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.03 2.61 6.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -18.42 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 76' ' ' SER . 26.2 m -137.62 34.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.72 113.0 9.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 -7.7 60.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.693 ' HB1' HD11 ' A' ' 98' ' ' ILE . . . -70.12 158.44 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -115.2 121.5 43.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.595 HD21 ' SD ' ' A' ' 50' ' ' MET . 1.2 tp -89.08 106.91 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.2 98.52 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 96' ' ' PHE . 0.8 OUTLIER -86.06 129.23 34.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.59 144.59 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.25 110.05 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.54 -148.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.67 -14.25 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.85 0.78 25.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.29 12.85 33.53 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.48 85.7 0.97 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.15 111.8 3.88 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.584 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 8.0 p90 -72.78 138.11 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.8 m -159.29 154.12 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.693 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -136.46 134.15 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -107.19 113.28 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.79 144.3 29.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.53 0.205 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -135.06 -173.68 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.01 156.91 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -76.11 93.82 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.01 129.77 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.534 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 27.5 tt0 -178.05 133.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.622 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 2.0 tt0 -109.47 98.5 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 9.2 m-85 -74.86 160.47 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mm -74.71 116.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -159.56 129.31 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -133.16 121.38 22.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.686 HG22 ' CB ' ' A' ' 16' ' ' ALA . 1.8 p -110.85 144.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 16' ' ' ALA . 17.0 p -58.64 136.55 57.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.469 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.96 -32.18 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HG3' HG21 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.46 -43.95 88.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.686 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -55.8 -46.41 78.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.595 HG23 ' CG1' ' A' ' 12' ' ' VAL . 2.2 t -68.16 -44.46 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.62 -33.89 68.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 28.8 tp10 -57.08 -31.96 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 3.3 mp -73.28 -38.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mppp? -50.75 -41.26 56.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.15 -51.38 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -53.64 -38.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.85 -42.46 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.94 -43.99 63.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -6.95 44.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -119.38 4.25 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' ALA . 45.6 t30 50.33 42.26 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.9 mt -99.39 139.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.73 4.25 16.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -151.26 65.33 6.59 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.533 ' O ' HG12 ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.01 116.26 4.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.81 95.39 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' CG1' ' A' ' 20' ' ' ILE . 3.3 mm? -92.16 141.34 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 25.5 ptt-85 -108.01 144.71 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.973 HG22 HG23 ' A' ' 72' ' ' ILE . 1.3 mp -104.39 117.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -143.69 169.71 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.834 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 23.4 t -79.85 147.8 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 48' ' ' TYR . 67.5 t -109.59 100.68 43.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 59.94 5.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.31 63.58 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.87 97.78 0.12 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -46.5 88.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -101.08 -45.86 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.64 47.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 50.2 p90 -166.13 109.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -153.91 147.2 24.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.834 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 7.9 m-85 -79.0 148.44 32.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.62 148.83 47.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.594 ' SD ' ' CE2' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -102.81 169.24 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' HD12 ' A' ' 34' ' ' LEU . . . 178.35 121.13 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 24.4 p90 -68.52 117.5 10.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.42 175.09 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.51 -52.17 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 56' ' ' VAL . 1.5 t -165.03 -177.65 4.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.789 HG23 HG11 ' A' ' 71' ' ' VAL . 8.8 p -77.28 156.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.39 171.0 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -82.94 18.95 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.54 57.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.78 165.23 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.796 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -76.77 98.44 4.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.595 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -76.58 100.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.11 111.68 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.4 126.45 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 67' ' ' GLY . 4.1 m-85 -112.32 -163.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -64.27 70.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 88.88 -29.24 5.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 32' ' ' PRO . 1.8 t -95.4 173.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.514 ' H ' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -141.75 147.73 37.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 70.6 t -124.36 160.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.789 HG11 HG23 ' A' ' 56' ' ' VAL . 1.4 m -145.82 110.79 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.973 HG23 HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -94.9 152.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.47 156.72 86.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -24.52 12.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 1.3 t80 -90.77 -30.46 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -89.05 -19.88 25.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.579 ' HG3' ' CD2' ' A' ' 8' ' ' PHE . 3.4 mmm -57.96 -50.09 90.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.4 Cg_endo -74.96 1.72 7.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 -17.83 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -135.69 34.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.9 t-20 -45.62 129.02 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.54 26.38 0.39 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.53 155.33 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -113.52 106.9 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.638 ' HB2' HD12 ' A' ' 98' ' ' ILE . 1.6 tp -85.12 106.53 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 97' ' ' THR . 10.5 t0 -98.38 105.79 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CE2' ' SD ' ' A' ' 50' ' ' MET . 11.9 t80 -86.2 111.92 20.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.5 t -67.49 148.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.436 HG21 ' HG3' ' A' ' 15' ' ' LYS . 17.8 t -127.74 119.35 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' PHE . 26.2 m-20 -165.42 -177.11 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.3 t80 34.46 -140.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.11 23.63 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.93 -96.26 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 162.6 -132.41 2.78 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -172.18 140.92 6.01 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -80.73 142.11 34.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -150.11 129.17 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.638 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -131.82 126.05 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.42 129.66 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -138.08 140.25 28.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.505 0.193 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.55 79.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -142.58 156.24 45.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.37 125.81 45.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.21 120.28 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.537 ' HG2' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -124.11 38.48 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -123.95 100.0 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.657 ' CG ' HD13 ' A' ' 72' ' ' ILE . 16.5 t80 -87.31 124.49 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mm -84.74 109.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 13.7 t80 -159.57 148.8 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -131.45 108.98 9.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.929 HG12 ' OH ' ' A' ' 65' ' ' TYR . 2.1 p -113.66 147.78 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -63.79 143.5 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.83 -26.86 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -65.07 -39.01 92.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.655 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -67.78 -50.34 57.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.823 HG21 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -64.86 -54.27 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 17' ' ' VAL . 11.4 tm-20 -52.19 -30.94 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -66.62 -33.57 75.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.972 HG13 HD22 ' A' ' 34' ' ' LEU . 2.0 mm -70.46 -29.49 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -77.71 -35.11 52.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.73 -51.17 24.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.628 HG12 ' CE2' ' A' ' 52' ' ' PHE . 13.7 t -55.13 -37.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -75.23 -45.33 40.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -55.87 -32.18 63.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -3.8 54.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -124.08 10.42 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.2 t30 54.52 34.56 21.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.28 125.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -105.09 8.45 34.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -149.7 66.62 8.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -75.01 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.5 mt -89.44 104.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.972 HD22 HG13 ' A' ' 20' ' ' ILE . 14.2 tp -90.68 112.19 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -107.51 134.67 50.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 mp -90.0 111.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.52 127.85 47.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.766 HG22 ' HE2' ' A' ' 48' ' ' TYR . 3.3 t -65.62 108.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.4 p -106.19 114.6 62.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 90.3 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.04 -57.48 0.3 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.72 160.91 51.69 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' CZ ' ' A' ' 46' ' ' PHE . 1.2 m -79.43 -50.87 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -114.54 -46.78 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.49 83.87 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 43' ' ' CYS . 32.4 m-85 -81.93 107.69 14.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.48 172.42 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.766 ' HE2' HG22 ' A' ' 38' ' ' VAL . 49.0 m-85 -115.52 123.43 48.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.58 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.78 159.04 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -117.31 153.89 32.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.64 178.5 48.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.628 ' CE2' HG12 ' A' ' 23' ' ' VAL . 17.9 m-30 -109.67 96.39 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.82 153.86 15.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.36 89.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -52.85 -173.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.54 ' N ' HG23 ' A' ' 55' ' ' THR . 1.2 t -76.18 153.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -115.78 171.05 8.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -84.05 21.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.79 45.27 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.28 131.13 56.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.03 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.96 HG23 HG12 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -76.49 123.19 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.627 ' CE2' ' O ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.51 137.74 52.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.1 145.98 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.929 ' OH ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -137.51 -157.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 73.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 59.08 45.09 95.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.3 t -151.28 150.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 139.56 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 34' ' ' LEU . 12.5 t -139.66 142.47 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.96 HG12 HG23 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -145.47 156.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.657 HD13 ' CG ' ' A' ' 8' ' ' PHE . 4.6 mp -142.06 138.6 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -60.29 160.48 17.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -83.77 -22.48 31.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -89.2 -18.0 27.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.9 -49.35 93.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.5 Cg_endo -74.92 3.14 5.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.425 ' CD1' ' OH ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -101.19 -41.55 6.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.584 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 12.2 m -123.96 50.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -92.1 131.84 37.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.56 62.34 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.33 -179.12 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -136.32 153.23 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -136.33 118.73 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -95.87 112.39 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 30.5 t80 -85.49 124.5 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' GLY . 54.3 t -96.24 146.44 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.8 t -128.39 111.57 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -165.62 -149.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.08 -14.76 4.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.52 2.93 23.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 57.77 15.72 20.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.31 85.59 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -80.93 123.02 5.87 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -93.14 114.04 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.562 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.6 m -122.8 126.2 46.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.605 HD12 ' HB2' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -110.26 129.24 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.96 136.25 44.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -129.23 128.35 23.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.476 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -135.77 149.02 49.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -123.39 95.29 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 6' ' ' GLN . 3.2 mp0 -85.94 113.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.26 84.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' GLN . 1.1 pt20 -103.9 49.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.67 99.17 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.8 ' HZ ' HG23 ' A' ' 80' ' ' VAL . 2.6 t80 -94.4 125.46 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mm -85.85 110.24 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 12' ' ' VAL . 25.7 t80 -155.9 151.3 26.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -132.43 109.56 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.567 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -111.38 147.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 p -63.88 177.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.43 -21.92 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' CD ' HG23 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.46 -47.29 76.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -59.31 -56.44 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.803 HG22 ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -55.06 -44.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.0 -40.05 83.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' OE2' ' CE2' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -56.21 -46.99 79.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.741 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.4 mm -55.21 -38.6 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 21.4 mttt -64.95 -40.88 95.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HE3' HG11 ' A' ' 89' ' ' VAL . 5.1 mttt -53.45 -50.53 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.0 -24.03 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -75.39 -51.74 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -36.17 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -6.79 34.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -138.1 15.58 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ALA . 16.7 t30 41.59 45.02 2.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 2.9 mt -96.87 107.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.08 4.99 17.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -150.8 68.73 8.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 18.3 Cg_endo -75.0 115.73 4.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.425 ' CG1' ' HB2' ' A' ' 69' ' ' LYS . 25.3 mt -101.03 95.79 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -101.29 152.64 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' N ' HD22 ' A' ' 34' ' ' LEU . 20.0 ptt180 -125.67 143.94 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.659 ' CG2' HG23 ' A' ' 72' ' ' ILE . 5.8 tp -90.34 145.3 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -141.18 163.26 33.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.648 HG22 ' CE2' ' A' ' 48' ' ' TYR . 2.1 t -102.02 130.56 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.59 92.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 87.68 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.69 87.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.31 132.03 7.64 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -49.0 76.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -39.65 38.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.77 171.13 34.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 43.2 p90 -84.96 111.05 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 96' ' ' PHE . 23.2 mp0 -143.89 179.15 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.648 ' CE2' HG22 ' A' ' 38' ' ' VAL . 7.0 m-85 -104.61 135.41 46.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.7 159.75 14.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.633 ' CE ' ' HB1' ' A' ' 16' ' ' ALA . 1.4 mtt -113.3 157.04 22.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.41 131.25 1.53 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 29' ' ' ILE . 9.1 t80 -68.55 128.37 36.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.793 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 7.4 t70 -88.66 175.22 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.65 -40.97 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 56' ' ' VAL . 1.1 t -164.78 -177.57 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' THR . 1.0 OUTLIER -83.3 156.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.83 169.99 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -87.35 23.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.96 63.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 135.98 38.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -67.39 90.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.758 HG23 HG12 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -76.59 117.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -115.52 117.48 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.75 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.825 ' CE2' HG21 ' A' ' 70' ' ' VAL . 1.1 m-30 -119.14 -165.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.23 70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.71 20.4 71.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 69' ' ' LYS . 64.2 t -138.61 165.3 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' HG12 ' A' ' 68' ' ' VAL . 2.5 mttt -110.93 148.1 33.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.83 HG22 HD11 ' A' ' 34' ' ' LEU . 91.6 t -142.17 150.87 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.758 HG12 HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -146.87 155.22 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.659 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.1 mp -143.12 140.05 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.12 163.05 8.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.47 8.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -80.54 -20.33 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.567 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.7 t -88.6 -18.03 28.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.612 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -55.79 -50.57 86.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.0 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.63 -36.03 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG23 ' HZ ' ' A' ' 8' ' ' PHE . 30.9 m -126.41 50.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -97.29 134.55 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 48.28 62.54 4.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 -179.98 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -136.19 143.98 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -128.94 116.66 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.499 ' OD2' ' CG2' ' A' ' 97' ' ' THR . 2.9 p-10 -95.97 105.75 17.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 50' ' ' MET . 1.1 t80 -85.49 124.66 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.533 ' CG1' ' OD2' ' A' ' 90' ' ' ASP . 25.5 t -99.39 149.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.462 HG23 ' CD ' ' A' ' 15' ' ' LYS . 11.8 t -129.32 104.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.533 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 5.4 m-20 -151.68 -149.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.21 -14.02 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.2 15.78 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.47 25.04 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.63 82.23 0.51 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -79.59 114.26 3.83 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 47' ' ' GLN . 3.1 p90 -81.3 143.83 31.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.499 ' CG2' ' OD2' ' A' ' 86' ' ' ASP . 1.3 m -159.53 138.29 10.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.437 HD11 ' HD1' ' A' ' 48' ' ' TYR . 6.5 mt -122.88 139.56 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -126.97 97.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.53 137.71 76.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.531 0.205 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -163.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.11 155.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -84.92 144.02 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' O ' ' CE1' ' A' ' 61' ' ' HIS . . . -54.84 124.37 16.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.436 ' CG ' ' H ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -104.31 33.53 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.66 112.54 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 5.7 p90 -106.77 141.07 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mm -86.87 107.8 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -161.85 152.68 17.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 12.6 mtmt -123.84 135.78 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.576 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -133.52 134.92 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.603 HG21 ' CG ' ' A' ' 86' ' ' ASP . 40.6 p -58.6 172.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.1 m-20 -75.88 -26.34 56.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -65.01 -46.59 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -59.39 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 65' ' ' TYR . 1.4 t -55.14 -48.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 63.8 mt-10 -51.09 -51.35 54.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.745 ' OE1' HG22 ' A' ' 89' ' ' VAL . 1.3 tt0 -45.6 -49.44 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.635 HG12 HD13 ' A' ' 34' ' ' LEU . 1.2 mp -66.66 -41.71 88.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.685 ' HG3' HG21 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -59.29 -44.22 92.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -48.15 42.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 52' ' ' PHE . 2.5 t -50.81 -56.27 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 32' ' ' PRO . . . -60.29 -43.25 96.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.96 -35.06 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.38 -6.77 54.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -116.74 8.69 13.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 62.64 33.43 15.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.583 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 95.4 mt -99.44 145.31 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.13 6.56 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.29 66.87 7.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.586 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 160.21 40.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.4 113.55 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.988 ' HB3' HG22 ' A' ' 70' ' ' VAL . 38.1 tp -92.59 114.52 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -109.83 117.93 35.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.76 112.59 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.76 154.41 30.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.807 HG22 ' CE2' ' A' ' 48' ' ' TYR . 92.3 t -85.28 132.95 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.5 t -116.94 84.95 16.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.34 -87.8 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 144.69 44.42 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -33.6 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.29 -33.92 8.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.96 126.3 8.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.47 ' CG ' ' O ' ' A' ' 46' ' ' PHE . 8.3 p90 -170.98 81.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' HG22 ' A' ' 98' ' ' ILE . 9.4 mm-40 -98.58 174.74 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.807 ' CE2' HG22 ' A' ' 38' ' ' VAL . 56.6 m-85 -94.37 118.58 31.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -82.01 158.92 23.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.717 ' SD ' HD11 ' A' ' 34' ' ' LEU . 1.4 mmm -107.97 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.32 -172.47 44.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.631 ' CD1' HG11 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -137.45 123.64 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -114.68 174.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.12 44.26 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 t -164.86 152.49 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.45 154.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -98.81 170.66 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 45.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 66.85 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -125.66 126.11 44.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.588 ' CE1' ' O ' ' A' ' 5' ' ' ALA . 96.7 m-70 -64.08 104.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' H ' ' CG ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -92.0 128.44 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.631 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -118.31 134.67 54.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -91.81 106.74 18.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.64 ' CE1' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -99.52 -160.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.88 70.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 72.57 33.7 60.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.685 HG21 ' HG3' ' A' ' 21' ' ' LYS . 41.7 t -147.87 157.68 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -119.19 143.1 47.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 34' ' ' LEU . 12.4 t -129.96 149.19 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' OD2' ' A' ' 60' ' ' ASP . 1.2 m -145.34 151.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ASP . 12.0 mt -145.6 120.66 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ILE . 3.0 m-20 -39.48 158.43 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.51 16.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -88.29 -29.99 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.758 ' O ' HG22 ' A' ' 80' ' ' VAL . 79.8 p -89.26 -18.67 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.514 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -56.59 -49.7 92.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.6 Cg_endo -74.95 1.18 7.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 75' ' ' PHE . 12.9 m-85 -107.61 -19.98 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 76' ' ' SER . 30.3 m -135.74 47.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -100.69 140.22 35.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 49.11 60.88 5.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.18 158.31 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.95 134.24 44.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 0.8 OUTLIER -120.68 106.8 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.603 ' CG ' HG21 ' A' ' 13' ' ' THR . 1.7 t0 -97.92 101.34 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.709 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 3.8 t80 -85.28 110.93 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.44 146.93 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.745 HG22 ' OE1' ' A' ' 19' ' ' GLU . 11.0 t -127.75 118.52 49.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' PHE . 55.1 m-20 -165.46 -174.43 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.4 t80 35.0 -140.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.71 17.64 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.98 -99.01 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 163.57 -154.45 25.36 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.58 115.0 0.91 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 9.5 m-85 -76.68 120.74 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 127.6 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.431 HG22 ' OE1' ' A' ' 47' ' ' GLN . 1.5 tt -126.41 123.24 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.78 129.77 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.97 146.77 52.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ptp . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.465 0.174 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -179.42 176.02 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.82 156.74 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -124.76 103.07 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.42 130.96 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.821 ' HG2' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -124.4 36.34 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.7 103.84 8.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 15.3 p90 -120.72 124.77 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.91 135.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -159.63 127.75 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -93.08 114.7 27.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG11 HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -131.45 125.55 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 p -58.69 151.06 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.61 -28.05 43.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HD3' HG23 ' A' ' 89' ' ' VAL . 0.8 OUTLIER -64.27 -39.51 94.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 20' ' ' ILE . . . -66.43 -58.2 5.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG21 ' CE1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -54.59 -46.93 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -57.01 -40.51 76.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.749 ' OE1' HG22 ' A' ' 89' ' ' VAL . 13.3 tp10 -47.26 -32.99 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.976 HG13 HD22 ' A' ' 34' ' ' LEU . 2.4 mp -76.55 -42.68 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -51.54 -38.54 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -48.01 21.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.6 t -57.67 -39.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -75.29 -41.03 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.91 -47.11 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.223 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.73 -13.28 62.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 23' ' ' VAL . 83.4 m-20 -109.84 -0.4 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' ALA . 6.8 t30 52.37 41.54 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.746 HG22 ' H ' ' A' ' 31' ' ' ASN . 59.4 mt -99.93 144.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.77 4.25 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.746 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -151.72 66.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.01 118.24 5.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mt -105.53 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.976 HD22 HG13 ' A' ' 20' ' ' ILE . 2.3 mp -98.51 142.5 30.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 20.3 ttp180 -107.98 146.86 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -114.92 110.77 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.1 171.45 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG22 ' CE2' ' A' ' 48' ' ' TYR . 3.2 t -80.65 125.65 39.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -126.52 124.9 24.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 101.46 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.8 179.04 35.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.08 -167.72 12.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.7 -50.24 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -46.04 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.92 55.86 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.44 39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 96' ' ' PHE . 1.2 pp0? -96.58 158.49 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 98' ' ' ILE . 10.2 m-85 -114.75 116.16 28.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.09 159.21 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.933 ' HB2' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.47 161.81 26.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . -177.4 134.52 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 33.6 p90 -68.78 125.11 25.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASP . 16.6 t0 -106.71 175.14 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.4 p-10 -39.68 -52.31 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 56' ' ' VAL . 4.7 t -174.41 -176.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.778 HG23 HG11 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -76.81 155.73 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -81.26 171.04 15.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.95 23.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.87 56.01 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 3.2 t0 -120.39 134.73 55.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.604 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 2.8 m-70 -62.94 85.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.895 HG23 HG12 ' A' ' 71' ' ' VAL . 2.5 p -89.11 134.94 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.629 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -118.52 152.69 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -98.16 118.41 34.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -107.99 -164.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -66.75 70.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.81 -4.57 60.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 69' ' ' LYS . 58.6 t -106.85 163.71 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' N ' HG12 ' A' ' 68' ' ' VAL . 1.4 mttp -124.83 148.8 48.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 25.5 t -146.62 159.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.895 HG12 HG23 ' A' ' 62' ' ' VAL . 1.5 m -144.43 159.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 8' ' ' PHE . 8.9 mt -147.51 129.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.09 153.57 0.51 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -90.42 -29.48 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -89.85 -19.37 24.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.537 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 4.0 mmm -57.5 -48.77 96.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -74.97 1.6 7.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' C ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -102.21 -0.94 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' CZ ' ' A' ' 48' ' ' TYR . 4.4 m -151.77 22.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -44.72 124.65 4.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 43.19 28.72 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.44 162.67 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -110.13 104.8 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.725 ' HB2' HD12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -104.42 108.05 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -96.81 100.78 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 50' ' ' MET . 1.4 t80 -85.23 127.18 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.25 154.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.749 HG22 ' OE1' ' A' ' 19' ' ' GLU . 26.3 t -127.24 121.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' PHE . 64.9 m-20 -165.43 -175.8 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 34.92 -140.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.5 20.69 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.21 -107.5 0.22 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.99 -174.83 46.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.44 -178.46 19.8 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD2' ' NE2' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -129.06 128.39 43.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ASP . 1.3 m -149.83 119.25 6.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.725 HD12 ' HB2' ' A' ' 85' ' ' LEU . 3.1 tt -121.12 143.03 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.62 127.64 45.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -98.19 141.76 23.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.454 0.169 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 45.31 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -136.86 109.84 7.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -104.49 82.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.06 125.75 25.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -165.17 107.89 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 7.7 pt20 -118.98 99.01 6.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.584 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -100.67 150.6 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.71 HG23 ' H ' ' A' ' 82' ' ' GLY . 0.6 OUTLIER -82.55 131.79 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.469 ' CG ' HD11 ' A' ' 72' ' ' ILE . 18.9 t80 -159.46 139.16 11.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -135.07 115.77 13.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.7 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -121.95 139.62 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.413 HG21 ' CG ' ' A' ' 86' ' ' ASP . 35.6 p -62.29 155.2 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.77 -32.16 69.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -65.17 -42.08 94.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.7 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -66.22 -50.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.47 -46.62 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 87' ' ' TYR . 9.1 tp10 -49.36 -33.29 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.806 HG13 HD22 ' A' ' 34' ' ' LEU . 1.4 mm -70.83 -45.23 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -65.41 -34.76 79.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.06 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.5 t -76.15 -34.69 26.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -72.44 -49.41 33.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -18.13 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.57 -10.72 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -120.56 0.76 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.09 43.1 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.659 HG22 ' H ' ' A' ' 31' ' ' ASN . 18.7 mt -99.43 139.62 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.28 4.88 18.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.659 ' H ' HG22 ' A' ' 29' ' ' ILE . 16.4 m-80 -151.71 65.65 6.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG3' ' CB ' ' A' ' 24' ' ' ALA . 18.2 Cg_endo -75.02 123.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 HG13 ' A' ' 71' ' ' VAL . 2.2 mt -98.1 101.02 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD22 HG13 ' A' ' 20' ' ' ILE . 1.7 tp -90.74 114.62 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 2.9 ptm180 -102.05 122.31 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.617 HG23 ' CD2' ' A' ' 48' ' ' TYR . 1.6 mp -89.01 108.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.95 155.0 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.749 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 95.0 t -76.78 156.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 49' ' ' ALA . 95.4 t -129.29 131.63 23.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 39' ' ' VAL . 18.4 Cg_endo -75.0 68.92 5.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.43 -59.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' CD1' ' A' ' 46' ' ' PHE . . . -49.75 108.8 0.51 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.65 -41.61 45.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -94.93 -41.72 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.16 107.15 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 59.0 m-85 -68.7 86.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.801 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.95 139.19 50.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.749 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 9.7 m-85 -83.34 145.33 29.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' A' ' 39' ' ' VAL . . . -91.53 159.31 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.556 ' HG2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -108.1 146.84 32.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.67 174.8 47.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -117.88 125.66 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.958 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.92 175.87 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -32.75 18.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -165.92 172.06 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.653 HG22 HG11 ' A' ' 71' ' ' VAL . 1.4 t -80.65 155.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' CD ' ' OD2' ' A' ' 60' ' ' ASP . 18.7 mt-10 -85.39 171.17 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.9 28.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 52.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -116.86 166.66 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.761 ' CE1' ' CD1' ' A' ' 63' ' ' PHE . 21.4 t60 -78.46 116.85 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 62' ' ' VAL . 1.2 t -94.96 98.97 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.761 ' CD1' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -116.9 110.34 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.76 124.46 27.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CD1' HG21 ' A' ' 17' ' ' VAL . 5.1 m-85 -109.25 -167.2 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.13 70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 78.29 29.81 52.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 69' ' ' LYS . 65.8 t -148.64 160.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 68' ' ' VAL . 2.3 ttmt -124.52 156.76 36.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' CG2' HD23 ' A' ' 34' ' ' LEU . 2.9 t -140.03 156.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG11 HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -146.34 111.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 77' ' ' MET . 2.7 mt -95.49 161.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 77' ' ' MET . 62.9 m-20 -78.11 149.25 76.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -22.89 14.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.537 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -94.96 -24.88 16.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 38' ' ' VAL . 1.3 m -91.4 -26.69 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.589 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 8.9 mmm -58.18 -45.5 99.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.06 2.79 6.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 -20.64 16.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 80' ' ' VAL . 2.5 m -141.76 43.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 3.9 p30 -47.85 137.37 9.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 36.99 32.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -75.76 -179.02 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -131.22 110.03 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD13 HD11 ' A' ' 98' ' ' ILE . 1.1 tp -95.23 106.21 18.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 97' ' ' THR . 6.9 t0 -98.7 102.24 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 19' ' ' GLU . 18.4 t80 -85.8 125.32 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.8 t -88.02 141.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.9 t -128.61 112.38 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -165.56 -148.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -15.42 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.6 mtm -83.63 9.36 11.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.52 22.97 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.74 119.08 3.32 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.82 -179.71 19.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 5.9 m-85 -128.07 116.76 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -137.82 127.19 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.619 HD11 HD13 ' A' ' 85' ' ' LEU . 48.9 mm -116.31 123.97 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 99.65 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -69.64 154.74 94.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.465 0.174 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.22 105.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.45 122.11 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -118.96 171.73 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.881 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . . . -54.49 166.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -105.63 146.96 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.482 ' HA ' ' ND1' ' A' ' 61' ' ' HIS . 4.9 pt20 -92.72 101.47 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.608 ' CE2' ' HB2' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -73.23 160.03 32.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 mm -81.84 114.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 83' ' ' ALA . 35.6 t80 -157.03 131.75 8.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.56 124.38 41.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.856 ' CG1' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -105.01 137.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 p -55.2 147.89 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.428 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -32.89 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -40.64 94.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.64 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -48.89 69.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.856 HG23 ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -65.66 -53.01 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' HG12 ' A' ' 17' ' ' VAL . 31.6 tt0 -52.98 -32.66 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.781 ' OE2' HG23 ' A' ' 23' ' ' VAL . 8.0 tp10 -64.33 -36.09 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.695 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.8 mm -67.66 -33.09 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -70.54 -40.42 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -51.08 43.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.781 HG23 ' OE2' ' A' ' 19' ' ' GLU . 2.6 t -52.84 -40.96 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -71.87 -39.95 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -20.16 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.235 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.82 -18.66 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -108.22 13.22 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 55.3 32.32 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -99.41 148.44 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -127.94 7.5 6.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.45 66.08 6.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.631 ' HB2' HG22 ' A' ' 20' ' ' ILE . 18.2 Cg_endo -75.04 139.58 24.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.442 HG23 HG13 ' A' ' 71' ' ' VAL . 3.5 mt -104.47 112.98 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.998 ' HB3' HG22 ' A' ' 70' ' ' VAL . 54.4 tp -92.92 112.3 24.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -103.31 126.52 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -90.6 116.06 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.36 154.75 45.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -96.81 120.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG23 ' HD2' ' A' ' 40' ' ' PRO . 7.1 p -143.8 141.39 18.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 39' ' ' VAL . 18.2 Cg_endo -75.02 91.21 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -40.91 -61.43 1.95 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.1 -135.39 7.46 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.2 -32.51 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -38.66 75.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.22 155.06 7.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -80.22 96.7 6.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HB3' HD12 ' A' ' 98' ' ' ILE . 9.3 mt-30 -136.49 153.43 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.603 ' H ' HD13 ' A' ' 98' ' ' ILE . 29.4 m-85 -78.8 118.48 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HA ' ' CG ' ' A' ' 96' ' ' PHE . . . -80.84 159.06 25.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.895 ' HG2' HD11 ' A' ' 34' ' ' LEU . 7.5 mtp -107.11 174.92 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.86 -171.86 40.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.34 127.79 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.04 174.96 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -136.22 65.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -179.66 168.57 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' N ' HG23 ' A' ' 55' ' ' THR . 1.2 t -134.5 155.93 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.48 170.52 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.85 24.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.881 ' HA2' ' HB2' ' A' ' 5' ' ' ALA . . . 169.25 66.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' VAL . 3.5 t0 -123.26 145.08 48.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.948 ' CD2' HD12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -65.8 74.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.583 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 62' ' ' VAL . 1.4 p -75.43 107.73 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -115.94 144.2 44.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -87.73 140.28 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' GLY . 9.2 m-85 -128.64 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -66.48 70.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 69.39 39.39 80.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -150.22 152.04 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.06 143.05 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.998 HG22 ' HB3' ' A' ' 34' ' ' LEU . 5.8 t -138.23 154.96 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.442 HG13 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -144.54 150.71 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.948 HD12 ' CD2' ' A' ' 61' ' ' HIS . 11.0 mt -144.21 145.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.75 164.31 51.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.43 14.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -80.99 -14.31 58.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.643 ' O ' HG22 ' A' ' 80' ' ' VAL . 20.4 m -88.85 -19.66 25.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.592 ' HG2' ' CD2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -57.36 -51.2 83.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.04 3.33 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.554 ' CE2' HG11 ' A' ' 38' ' ' VAL . 2.1 m-85 -113.16 -27.83 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 76' ' ' SER . 6.4 m -131.77 46.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' ASN . 9.5 p-10 -61.02 101.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.18 11.27 31.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.535 ' O ' ' CD1' ' A' ' 10' ' ' PHE . . . -75.59 155.11 36.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -113.2 144.33 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD21 ' SD ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -104.29 107.72 18.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -96.51 99.05 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 53.3 t80 -85.22 115.54 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.2 t -76.3 151.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.53 122.43 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 91' ' ' PHE . 54.6 m-20 -165.37 -173.9 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.7 t80 35.38 -140.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.29 27.5 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.85 -108.0 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.115 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.59 -172.1 43.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -138.5 123.55 2.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 96' ' ' PHE . 26.9 p90 -72.87 117.65 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -124.47 148.03 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 84' ' ' GLU . 4.8 mp -139.09 145.94 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -122.88 152.04 41.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -132.48 128.16 20.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.462 0.172 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.87 125.97 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -149.0 155.7 41.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -75.53 79.08 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 6' ' ' GLN . . . -75.18 166.54 23.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 26.9 tt0 68.21 133.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -121.94 112.14 17.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -72.32 156.23 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -85.54 138.78 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 7.9 t80 -158.94 146.34 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -133.53 116.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.647 HG22 ' CB ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -130.41 132.45 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.4 168.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -27.2 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.4 79.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.647 ' CB ' HG22 ' A' ' 12' ' ' VAL . . . -59.65 -50.33 74.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -60.81 -44.48 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.72 -41.91 87.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.0 tp10 -53.43 -28.01 27.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.78 HD13 ' N ' ' A' ' 20' ' ' ILE . 1.1 mm -79.71 -36.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -53.65 18.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.6 -37.64 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 19' ' ' GLU . 14.5 t -67.58 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . -52.77 -50.86 62.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -38.1 15.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.27 -22.37 41.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.465 ' OD1' HG12 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -95.99 -0.57 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 61.13 27.77 17.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.689 HG22 ' H ' ' A' ' 31' ' ' ASN . 66.4 mt -100.77 144.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.33 4.38 15.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.689 ' H ' HG22 ' A' ' 29' ' ' ILE . 6.9 t-20 -145.37 69.16 13.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.729 ' HG2' HG13 ' A' ' 68' ' ' VAL . 18.3 Cg_endo -75.03 125.58 9.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 31' ' ' ASN . 2.4 mp -105.83 95.41 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.711 ' HG ' HG23 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -91.37 114.05 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.619 ' HA ' HG23 ' A' ' 71' ' ' VAL . 10.3 ttm180 -99.89 132.25 45.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.716 HG23 ' CG ' ' A' ' 48' ' ' TYR . 15.2 mm -88.34 117.34 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 39' ' ' VAL . 8.9 ttt180 -126.89 113.53 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 76' ' ' SER . 58.9 t -45.88 132.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 37' ' ' ARG . 78.1 t -125.21 81.5 63.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.76 3.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.92 147.51 13.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.7 176.6 22.4 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.06 -30.03 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -104.98 -47.29 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 43.87 -152.54 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 2.6 t80 72.42 -59.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 47' ' ' GLN . 3.1 pp0? -61.77 163.52 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.832 ' HE1' HD22 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -118.65 144.02 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.541 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -84.88 159.05 20.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.576 ' HB3' HD12 ' A' ' 34' ' ' LEU . 6.6 mtt -103.36 159.18 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.55 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 177.86 137.26 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.78 131.16 35.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.17 175.13 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.58 -43.81 84.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 t -164.36 -178.66 5.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.413 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -78.88 156.2 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.8 170.62 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 21.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.33 54.67 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -120.11 142.88 48.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 67.3 m-70 -64.84 90.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -75.35 111.54 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 131.65 56.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -82.07 128.37 34.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.708 ' CD1' HG21 ' A' ' 17' ' ' VAL . 1.9 m-85 -123.57 -164.88 1.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.43 72.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 67.73 39.53 90.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.729 HG13 ' HG2' ' A' ' 32' ' ' PRO . 66.6 t -150.0 158.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.24 109.91 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.641 ' CG2' ' CD2' ' A' ' 65' ' ' TYR . 60.3 t -102.42 147.46 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.619 HG23 ' HA ' ' A' ' 35' ' ' ARG . 24.4 m -144.63 158.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.028 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 7.5 mt -145.41 140.43 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.97 155.05 56.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.7 17.52 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.465 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 82.0 m-85 -87.37 -28.81 21.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.881 ' HB3' HG23 ' A' ' 38' ' ' VAL . 88.0 p -89.88 -18.16 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.572 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -55.93 -47.84 97.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.2 Cg_endo -75.05 4.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.69 ' O ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -104.89 -1.84 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 79' ' ' TYR . 12.5 m -160.07 38.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 83' ' ' ALA . 12.6 p-10 -44.42 112.69 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.75 27.16 0.32 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.473 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . . . -75.82 172.31 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 0.797 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' HD13 ' A' ' 98' ' ' ILE . 26.0 tt0 -101.76 130.04 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.832 HD22 ' HE1' ' A' ' 48' ' ' TYR . 1.2 tp -116.69 105.38 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.31 97.56 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -85.82 106.17 16.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.0 t -68.46 149.1 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG22 ' OE1' ' A' ' 19' ' ' GLU . 11.4 t -127.73 119.6 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' PHE . 34.4 m-20 -165.41 -174.62 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.5 t80 35.12 -140.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.0 mtt -93.37 25.33 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.8 -103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.83 -165.22 38.61 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.53 126.03 4.79 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 1.5 m-85 -81.11 117.35 21.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 0.775 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 122.96 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -123.01 124.46 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -114.87 108.83 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -110.81 135.34 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.952 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 65.38 70.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -147.31 153.94 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 79.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.05 119.55 19.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 6.6 tt0 -171.84 126.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.621 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 26.5 tt0 -121.28 102.49 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.642 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 79.5 m-85 -74.36 161.07 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.29 110.75 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -159.39 135.04 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -137.37 115.14 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG12 ' OH ' ' A' ' 65' ' ' TYR . 3.3 p -102.94 147.46 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.475 HG21 ' HB3' ' A' ' 86' ' ' ASP . 47.6 p -58.47 154.16 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.41 -25.06 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -65.43 -43.35 90.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 20' ' ' ILE . . . -58.53 -59.53 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 65' ' ' TYR . 2.1 t -56.4 -41.89 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.04 -36.34 81.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 6.3 tp10 -59.98 -55.8 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 16' ' ' ALA . 5.0 mp -62.28 -31.18 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -60.87 -49.6 76.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.28 -45.47 39.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.553 ' CG1' ' CE2' ' A' ' 52' ' ' PHE . 2.4 t -53.86 -54.8 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' HB ' ' A' ' 29' ' ' ILE . . . -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -57.12 -37.08 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -2.02 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -111.4 4.61 19.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.31 29.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 74.9 mt -99.43 146.08 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.2 5.56 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -151.85 66.36 6.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 18.4 Cg_endo -74.99 163.16 35.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.684 HG23 HG13 ' A' ' 71' ' ' VAL . 58.9 mt -138.17 133.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.666 ' CD1' HG21 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -90.69 118.51 30.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.537 ' N ' ' HE1' ' A' ' 50' ' ' MET . 8.1 tmm_? -114.01 114.31 25.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 72' ' ' ILE . 1.7 mp -87.92 116.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.52 149.89 49.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' CE2' ' A' ' 48' ' ' TYR . 6.8 t -101.38 110.84 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.52 136.87 22.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 60.71 5.46 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.445 1.76 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.76 67.52 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 105.5 121.01 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.1 p -67.66 -18.68 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -95.23 -24.02 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.596 ' C ' ' CD1' ' A' ' 46' ' ' PHE . . . -97.56 -65.64 0.9 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 45' ' ' GLY . 52.2 p90 41.03 28.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -71.5 177.54 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.78 ' CE2' HG22 ' A' ' 38' ' ' VAL . 49.3 m-85 -106.45 115.11 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . . . -80.72 159.16 25.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -94.22 172.07 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.17 95.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 32.8 p90 -68.08 108.47 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -110.98 174.18 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -126.5 57.69 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -165.8 179.02 6.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 t -139.36 153.44 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -93.34 170.94 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.05 18.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.52 41.58 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -96.73 141.14 30.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.679 ' NE2' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -75.9 107.1 7.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.677 HG22 ' HD3' ' A' ' 69' ' ' LYS . 1.1 t -76.45 100.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' NE2' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -117.25 111.54 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.57 125.17 29.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.61 ' OH ' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -111.59 -156.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -66.49 69.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' TYR . . . 86.81 -29.17 5.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 t -94.95 156.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.677 ' HD3' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -113.08 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.492 HG22 HD22 ' A' ' 34' ' ' LEU . 55.7 t -124.19 155.68 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.684 HG13 HG23 ' A' ' 33' ' ' ILE . 1.2 m -145.05 151.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.612 HG13 ' C ' ' A' ' 71' ' ' VAL . 2.1 mt -139.15 163.41 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.32 161.48 42.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.96 16.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.426 ' C ' ' HD2' ' A' ' 78' ' ' PRO . 2.5 t80 -94.21 -9.57 35.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.874 ' O ' HG22 ' A' ' 80' ' ' VAL . 9.8 t -88.92 -19.54 25.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CE2' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -56.91 -50.98 85.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 77' ' ' MET . 18.1 Cg_endo -75.08 0.68 8.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CE2' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -116.04 -11.98 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.874 HG22 ' O ' ' A' ' 76' ' ' SER . 7.7 m -145.96 41.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -86.79 121.49 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 58.89 12.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.58 152.87 27.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -120.13 108.6 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.475 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -95.39 103.48 15.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 50' ' ' MET . 8.6 t80 -85.72 123.31 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.79 152.21 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.1 t -127.59 120.27 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' PHE . 61.3 m-20 -165.38 -177.44 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 t80 34.85 -140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.79 8.9 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.9 -101.87 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.58 -155.61 26.67 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.61 177.81 18.75 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -124.29 128.97 49.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.975 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -140.36 143.7 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.5 mm -120.22 134.86 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.23 143.61 46.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -122.06 149.64 54.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 stop_ save_